• major program is offered jointly by the Department of Chemistry and Department of Molecular Biology and Biochemistry. (sfu.ca)
  • In biology, a substitution model , also called models of DNA sequence evolution , are Markov models that describe changes over evolutionary time. (wikipedia.org)
  • Molecular biology has become an indispensable component of modern biological research programs. (unc.edu)
  • The Molecular Biology Core was established to provide expertise, equipment, training, and reagents to serve the molecular biology needs for the Marsico Lung Institute/UNC Cystic Fibrosis Center. (unc.edu)
  • Training in molecular biology techniques. (unc.edu)
  • Methods in molecular biology (Clifton, N.J. (lu.se)
  • In: Methods in Molecular Biology, Vol. 1653 , pp. 195 - 202. (mpg.de)
  • We offer an excellent research environment, particularly in topics such as animal migration, molecular ecology, life history trade-offs, evolutionary biology, disease resistance in natural populations and host-parasite interactions. (lu.se)
  • The course is an optional second-cycle course for a degree of Bachelor or Master of Science in Biology and Molecular Biology. (lu.se)
  • In the former projects atomistic and coarse-grained molecular dynamics and Monte Carlo simulations will be used together with experimental techniques such as scattering and circular dichroism, whereas the third project is focused on atomistic simulations solely. (lu.se)
  • Theoretical methods for the simulation of nucleic acids. (irbbarcelona.org)
  • : Quantum Methods in Flat and Curved Spaces presents advanced quantum simulation techniques for condensed matter. (routledge.com)
  • All the methods had adequate accuracy compared with the results of the particle mesh Ewald (PME) method, except for a few simulation conditions. (elsevierpure.com)
  • Furthermore, in all of the simulation conditions, one of the PRF methods had the same accuracy as the PME method. (elsevierpure.com)
  • May 8, 2020 Scientists have developed a method that combines different resolution levels in a computer simulation of biological membranes. (sciencedaily.com)
  • The overall theme is multiscale simulation of complex systems, with a focus on methods and models. (lu.se)
  • Then, the encoded molecular representation by the FP-BERT is input to the convolutional neural network (CNN) to extract higher-level abstract features, and the predicted properties of the molecule are finally obtained through fully connected layer for distinct classification or regression MPP tasks. (biomedcentral.com)
  • The particle swam optimization (PSO) method[1] is combined with isobaric-isothermal ensemble Monte Carlo simulations at two-three state points to provide an estimate of the optimal parameters. (aiche.org)
  • Special emphasis is made ion current state of the art molecular dynamics simulations of nucleic acids structures. (irbbarcelona.org)
  • Inspired by the transient testing experiments we carried out molecular dynamics simulations of stress drops in the regimes similar to those experimentally performed, with the aim to explore the mechanisms responsible for GB accommodation and to verify whether dislocations are still emitted when strain rates after the stress drops are up to 2 or 3 orders of magnitude lower than those usually applied in atomistic deformation simulations. (psi.ch)
  • In this work, several in silico models have been built with two classes of proteasome inhibitors (PIs) by using 3D-QSAR, homology modeling, molecular docking and molecular dynamics (MD) simulations. (fdocument.org)
  • Using Monte Carlo methods as well as ground state variational and diffusion Monte Carlo (DMC) simulations, the author explains how to obtain temperature and quantum effects. (routledge.com)
  • We performed molecular dynamics (MD) simulations of a model liquid-crystal system to assess the accuracy of some variations of the PRF method in low-charge-density systems. (elsevierpure.com)
  • Applications of quantum chemical calculations to investigations of molecular and materials properties, as well as development and applications of classical reaction dynamics simulations. (lu.se)
  • Welcome to the eSSENCE Multiscale Modelling Meeting 2020 - which will be held as a webinar conference on Monday 8 June. (lu.se)
  • Moreover, our model can evolve part of the system (Feature extraction) with any time step (Step skip), which accelerates the efficient generation of MD data. (aaai.org)
  • Genome-scale modeling of photorespiratory pathway manipulation. (mpg.de)
  • Characterization of effects of genetic variants via genome-scale metabolic modelling. (mpg.de)
  • The technique encompasses the method of screening ligand libraries for the development of new candidate drug molecules. (bvsalud.org)
  • Meta-learning translates experience from past related systems to new ones, minimizing the number of molecules necessary to train models. (aiche.org)
  • Molecular modelling analysis is now a mature discipline increasingly used to supply information about structures, relative stabilities and other properties of isolated molecules such as surface charge distribution, surface area, volume, heat of formation and dipole moment (Warren, 2003). (scialert.net)
  • Molecular docking is the most frequently used computational method for studying the interactions between organic molecules and biological macromolecules. (mdpi.com)
  • A variety of models with different degrees of fuzziness were calculated and tested for both classes of molecules. (unboundmedicine.com)
  • Traditional methods based on density functional theory have explicit physical images but are time consuming when processing large numbers of molecules. (biomedcentral.com)
  • Some models explicitly refer to the encoders in NLP, treating molecules as sentences and atoms or substructures as words, thus achieving various embeddings of molecules. (biomedcentral.com)
  • By creating a special purpose chip that can specifically address the complexities of molecular dynamics, a system can be designed that can quickly and efficiently analyze the interactions between atoms and molecules pertinent to the design of pharmaceutical compounds. (ibm.com)
  • In the classical view of molecular recognition, the binding molecules fit each other like a lock and key. (sciencedaily.com)
  • Half a century of research has shown, however, that in numerous cases, the molecules need to deform in order to bind, as the key is not an exact fit for the molecular lock. (sciencedaily.com)
  • Through taught modules and coursework exercises, you will study how to design, synthesise, measure, model and manufacture molecules, materials and devices - from the molecular to the systems scale. (imperial.ac.uk)
  • Learn about the fundamental principles of molecular science and why molecules behave as they do. (imperial.ac.uk)
  • Computational modelling of functional molecules and materials. (lu.se)
  • Most of the work on substitution models has focused on DNA/ RNA and protein sequence evolution. (wikipedia.org)
  • In fact, substitution models can be developed for any biological characters that can be encoded using a specific alphabet (e.g., amino acid sequences combined with information about the conformation of those amino acids in three-dimensional protein structures [7] [8] ). (wikipedia.org)
  • eng] The study of the 3D structural details of protein-protein and protein-DNA interactions is essential to understand biomolecular functions at the molecular level. (tesisenred.net)
  • Intersecting analysis, molecular docking, and pathway validation analysis showed that risperidone influences the adipocytokine signaling pathway by targeting MAPK14 (mitogen-activated protein kinase 14), MAPK8 (mitogen-activated protein kinase 8), and RXRA (retinoic acid receptor RXR-alpha), thereby inhibiting long-chain fatty acid β-oxidation by decreasing STAT3 (signal transducer and activator of transcription 3) expression and phosphorylation. (frontiersin.org)
  • By cataloguing the molecular processes by which cells maintain and modify protein levels, proteomic studies offer another dimension of information that may help advance our understanding of health and disease. (cdc.gov)
  • Find out more about this course and the Institute for Molecular Science and Engineering. (imperial.ac.uk)
  • Molecular modelling analyses based on molecular mechanics, semi-empirical (PM3) and DFT (at B3LYP/6-31G* level) calculations show that MVC and its metabolites have large LUMO-HOMO energy differences ranging from 5.3 to 5.8 eV, indicating that the compounds would be kinetically inert. (scialert.net)
  • In this study, molecular modelling analyses have been carried out using the program Spartan 02 (Spartan, 2002) of MVC and its metabolites, with the aim of providing a better understanding of their toxicity. (scialert.net)
  • Some modeling analyses suggest 5 separate events are required in colon cancer. (medscape.com)
  • Methods for analysis of gene expression: microarray, hybridisation, promoter analyses. (lu.se)
  • Spurred by the developments in chemical testing, a promising new toxicological paradigm for ENMs is to use alternative test strategies (ATS), which reduce reliance on animal testing through the use of in vitro and in silico methods such as HTS, HCS, and computational modeling. (cdc.gov)
  • Also provided are methods for utilizing histidinol dehydrogenase polypeptides to screen for antibacterial compounds. (ispub.com)
  • Conformations of the designed compounds were optimized through semi-empirical method followed by PM3 calculation by the program HYPERCHEM. (ispub.com)
  • In this research we designed isoindoel compounds as a novel L-HDH inhibitors and showed their efficiency by modeling studies and docking that at first the structure of desired compounds were build by using HYPERCHEM program. (ispub.com)
  • The chemical structures of isoindoles (table.1) were constructed using Hyperchem software (version 7, Hypercube Inc.) .Semi-empirical molecular orbital calculations ( PM3) of the structure were performed using the Hyperchem program and the among all energy minima conformers, the global minimum of compounds were consider in docking calculations. (ispub.com)
  • The molecular surfaces of all the compounds are found to abound in neutral regions so that they may be subject to lyophilic attacks. (scialert.net)
  • Moreover, Kennard-Stone sampling of the actives were applied to select 30 diverse compounds for further molecular docking studies in order to gain structural insights on the origin of AChE inhibition. (peerj.com)
  • Molecular docking revealed that compounds 13 , 5 and 28 exhibited the lowest binding energies of −12.2, −12.0 and −12.0 kcal/mol, respectively, against human AChE, which is modulated by hydrogen bonding, π - π stacking and hydrophobic interaction inside the binding pocket. (peerj.com)
  • Molecular aspects of monooxygenases and bioactivation of toxic compounds. (cdc.gov)
  • that is, the biological activity of a compound can be predicted by its molecular structure. (biomedcentral.com)
  • They provide insight into structures and interactions at the molecular level, allowing researchers to understand, predict and manipulate characteristics and properties with greater clarity. (elsevier.com)
  • In this work, we describe an automated process for the optimization of non-bonded interactions in molecular mechanics force fields to reproduce selected experimental data, such as vapor-liquid coexistence densities. (aiche.org)
  • A periodic reaction field (PRF) method is a technique to estimate long-range interactions. (elsevierpure.com)
  • Analyzing compound interactions on a molecular level requires massive amounts of processing and computational power. (ibm.com)
  • This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. (nih.gov)
  • Using in vitro models alone, however, does not produce a complete understanding of all TBI mechanisms, due to the specialization of each model. (wikipedia.org)
  • To study deformation mechanisms using molecular dynamics, very high strain rates have to be applied. (psi.ch)
  • The pharmacological targets and molecular mechanisms related to risperidone-induced lipogenesis (RIL) remain to be elucidated. (frontiersin.org)
  • Molecular mechanisms for regulation of gene expression at different levels: remodeling of chromatin, initiation of transcription, nuclear transport and signalling, and RNA interference. (lu.se)
  • Both host factors (genetics) and low molecular weight allergens. (cdc.gov)
  • New generative models propose novel molecular structures to test and deep learning can predict their molecular properties with high accuracy. (aiche.org)
  • Different theoretical methods for the description of nucleic acid structures are reviewed. (irbbarcelona.org)
  • Automated methods to determine hydrogen positions in neutron crystal structures. (lu.se)
  • 16j) Unsupervised Optimization of Non-Bonded Parameters in Molecular Mechanics Force Fields Using the Particle Swarm Method. (aiche.org)
  • We then examine theoretical approaches to the description of nucleic acids based on: i) a rigid or quasi-rigid description of the molecule, ii) molecular mechanics optimization, and iii) molecular dynamics. (irbbarcelona.org)
  • Nonlocal models provide a much-needed predictive capability for important Sandia mission applications, ranging from fracture mechanics for nuclear components to subsurface flow for nuclear waste disposal, where traditional partial differential equations (PDEs) models fail to capture effects due to long-range forces at the microscale and mesoscale. (sandia.gov)
  • To overcome timescale problems, this book supplies efficient and accurate methods, such as diagonalization techniques, differential geometry, the path integral method in statistical mechanics, and the DMC approach. (routledge.com)
  • [2] Substitution models are also necessary to simulate sequence data for a group of organisms related by a specific tree. (wikipedia.org)
  • All organisms perform intricate molecular computations to survive. (sciencedaily.com)
  • Genetic model organisms. (lu.se)
  • However, understanding possible approaches, selecting the most appropriate modelling technique for a given application, and accurately interpreting the results can be difficult without understanding the basic principles, benefits and challenges associated with each of the many available methods. (elsevier.com)
  • The series is designed first for graduate students and researchers predominantly in computational and theoretical chemistry as well as materials science and biomolecular science, who are seeking to use and understand molecular modelling methods and approaches for the first time. (elsevier.com)
  • PCR-based molecular epidemiology approaches, namely mycobacterial interspersed repetitive unit-variable-number tandemrepeat (MIRU-VNTR) are being replaced by genomic epidemiology approaches. (cdc.gov)
  • Compared to traditional toxicology methods, which have a heavy reliance on animals, new approaches to generate toxicological data are becoming available for the safety assessment of chemicals, including high-throughput and high-content screening (HTS, HCS). (cdc.gov)
  • The new pharmacophore method was shown to complement existing approaches. (unboundmedicine.com)
  • Study modern, sustainable methods for making polymers with particular properties including catalysis for synthesis, solvents for polymer processing and microfluidic approaches. (imperial.ac.uk)
  • Cover key aspects of the modelling of matter and understand the various numerical approaches involved. (imperial.ac.uk)
  • Another recent study used proteomic profiling of liver biopsies to describe the molecular landscape of hepatocellular carcinoma, the most common type of liver cancer. (cdc.gov)
  • Molecular pathways of pulmonary inflammation following aspiration and inhalation of stainless steel welding fume in mice. (cdc.gov)
  • Since route of allergen exposure can influence mechanistic pathways, mice were sensitized by identical routes with a high molecular weight occupational allergen ovalbumin and a low molecular weight occupational allergen trimellitic anhydride (TMA). (cdc.gov)
  • Two of these genes, arginase 1 and eotaxin 1 are the focus of continuing investigations in mouse models of asthma regarding differences in mechanistic pathways depending on the allergen. (cdc.gov)
  • For example, branch lengths, especially when those branch lengths are combined with information from the fossil record and a model to estimate the timeframe for evolution. (wikipedia.org)
  • [4] Other model parameters have been used to gain insights into various aspects of the process of evolution. (wikipedia.org)
  • Models of DNA sequence evolution, where the alphabet corresponds to the four nucleotides (A, C, G, and T), are probably the easiest models to understand. (wikipedia.org)
  • Furthermore, conformational proofreading may turn out be a crucial factor affecting the evolution of bio-logical systems, and it may also be useful in the design of artificial molecular recognition systems. (sciencedaily.com)
  • One hypothesis is that systems which are able to couple molecular-based template self-replication to cellular objects evolved, overcoming parasitism and problems of dilution, see Fig. 1 1 . (nature.com)
  • Our goal is to have a journal club that will enrich our knowledge and keep us current in the field of molecular and cellular neuroscience. (bcm.edu)
  • Is it relevant to molecular and cellular neuroscience? (bcm.edu)
  • Previous studies have shown that xenobiotics and their metabolites which are kinetically labile and abound in electron-deficient regions on the molecular surface tend to induce cellular toxicity due to glutathione depletion and cause DNA damage due to oxidation of nucleobases in DNA (Huq, 2006a, b). (scialert.net)
  • Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data? (mdpi.com)
  • Here, several rigid-target docking methods were evaluated on the same dataset with respect to their ability to reproduce crystallographic binding orientations, to test if the best energy score is a reliable criterion for selecting the best solution. (mdpi.com)
  • RILs were systematically analyzed by integrating multiple databases through integrated network pharmacology, transcriptomics, molecular docking, and molecular experiment analysis. (frontiersin.org)
  • International Journal of Molecular Sciences 3D-QSAR, Molecular Docking and Molecular. (fdocument.org)
  • The national TB-control programs of many resource-constrained countries with a high TB prevalence lack systematic molecular epidemiology analysis ( 7 ). (cdc.gov)
  • The retinal transcriptome of WNIN/GR-Ob was compared with the respective lean controls and with the WNIN/Ob model using microarray analysis. (molvis.org)
  • This investigation provides a detailed histological and molecular analysis of thrombus organization in the swine aneurysm model. (thejns.org)
  • A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. (nih.gov)
  • Experiments in analytical chemistry, including analysis of solution samples, titrimetric and electroanalytical methods. (sfu.ca)
  • Build your appreciation of the analysis and characterisation methods available to the modern molecular scientist and engineer. (imperial.ac.uk)
  • Several methods have been devised recently for very sensitive detection of variola virus DNA and to distinguish this DNA from that of other orthopoxviruses, the most promising being analysis by polymerase chain reaction (PCR) of restriction fragment length polymorphisms, multiplex PCR and real-time PCR with fluorigenic probes. (who.int)
  • Methods for gene identification and analysis of gene structure: cloning, PCR, restriction mapping, in situ hybridisation, DNA sequencing. (lu.se)
  • A major limitation is that these methods are not designed to be used concurrently with experiments and improving their accuracy as experimental data is gathered is non-trivial. (aiche.org)
  • Our research is focused on iterative materials design where experiments are done concurrently instead of post-hoc in molecular design. (aiche.org)
  • Preliminary peridynamics modeling of the dynamic experiments is described. (sandia.gov)
  • The course covers theoretical models for the structure and reactions of atomic nuclear, as well as experiments in nuclear physics and their scientific applications. (lu.se)
  • However it is still not crystallized for birds and only advanced homology models are available. (nature.com)
  • The purpose of this journal club is to discuss high impact, insightful articles from all areas of Molecular Neuroscience. (bcm.edu)
  • Frontiers in Molecular Neuroscience, 11,418. (bvsalud.org)
  • In each model, tumor-bearing (TB) and control (CN) mice were injected with cancer cells and PBS, respectively. (spandidos-publications.com)
  • In recent years, the prediction of compound properties based on machine learning has attracted extensive attention from researchers, among which quantitative structure-activity relationships (QSAR) are one of the commonly used methods. (biomedcentral.com)
  • Traditional QSAR methods use classical machine learning methods such as support vector machines (SVM) and random forests. (biomedcentral.com)
  • 2 ] compared the performance of a deep learning model with random forest on a set of QSAR datasets, including the Kaggle dataset, and found that the performance of the deep learning method was better in most cases. (biomedcentral.com)
  • The successful application of these deep learning techniques greatly improved the accuracy of the QSAR method, which led to more extensive research. (biomedcentral.com)
  • Jeon and Kim [ 7 ] proposed FP2VEC, a molecular featurizer based on molecular fingerprints, which represented each compound as a group of trainable vectors and built a QSAR model to verify the ability of FP2VEC to extract molecular features. (biomedcentral.com)
  • The study resulted in two types of satisfactory 3D-QSAR models, i.e. , the CoMFA model (Q 2 = 0.462, R 2 pred = 0.820) for epoxyketone inhibitors (EPK) and the CoMSIA model (Q 2 = 0.622, R 2 pred = 0.821) for tyropeptin-boronic acid derivatives (TBA). (fdocument.org)
  • Systematic molecular/genomic epidemiology studies for tuberculosis surveillance cannot be implemented in many countries. (cdc.gov)
  • Rational integration of MIRU-VNTR, WGS, and tailored strain-specific PCRs could be a new model for tuberculosis surveillance in countries without molecular/genomic epidemiology programs. (cdc.gov)
  • New genotyping strategies in Mycobacterium tuberculosis have led to development of molecular epidemiology strategies that enable clarification of TB transmission dynamics ( 1 - 4 ). (cdc.gov)
  • Panama is an example of a country that, despite recently being classified in the upper-income category, has not implemented a systematic molecular/genomic epidemiology-based surveillance program ( 7 ). (cdc.gov)
  • Molecular Epidemiology of Contemporary Invasive Haemophilus influenzae Isolates in Texas Children. (cdc.gov)
  • Spatial distribution and molecular epidemiology of Babesia vogeli in household dogs from municipalities with different altitude gradients in the state of Rio de Janeiro, Brazil. (cdc.gov)
  • Integrating molecular markers into metabolic models improves genomic selection for Arabidopsis growth. (mpg.de)
  • Through molecular dynamics we have analysed the stability of the ISCA1-cryptochrome complex and characterized the interaction at the binding sites between individual cryptochrome and ISCA1. (nature.com)
  • The applicability of this model is evaluated through three different systems: harmonic oscillator, bulk water, and polymer melts. (aaai.org)
  • It provides guidance for the laboratory development and use of qualitative nucleic acid microarray methods for the diagnosis and monitoring of infectious diseases. (mlo-online.com)
  • Members of the institute have published in a wide range of peer-reviewed journals, including Nature, Molecular Cell, Angewandte Chemie, JACS, Science Advances, Proceedings of the National Academy of Sciences USA, Nucleic Acids Research, Chemical Science and many others. (le.ac.uk)
  • Thrombus organization and healing in the swine experimental aneurysm model. (thejns.org)
  • This is accomplished by using maximum entropy biasing methods that can update predictive physics-based models with new experimental results. (aiche.org)
  • Here, we describe an experimental protocol to chemically tag and quantify the vascular cell surface proteome in murine models of bacteremia, in a time-resolved and. (lu.se)
  • The experimental results demonstrate that our model can generate time series of the MD data with sufficient accuracy to calculate the physical and important dynamical statistics. (aaai.org)
  • Collaborative investigations of photophysics, photochemistry and ultrafast dynamics in molecular and heterogeneous systems carried out together with experimental colleagues. (lu.se)
  • Evaluation of different methods to calculated reduction potentials for heme proteins. (lu.se)
  • Molecular modeling is the technique to determine the overall structure of an unknown molecule, be it a small one or a macromolecule. (bvsalud.org)
  • Appropriately weighted fuzzy pharmacophore models performed better in retrospective screening than similarity searching using only a single query molecule. (unboundmedicine.com)
  • Deep learning-based MPP models capture molecular property-related features from various molecule representations. (biomedcentral.com)
  • In this paper, we propose a molecule sequence embedding and prediction model facing with MPP task. (biomedcentral.com)
  • 4 ] compared two different models for predicting molecular properties, one using fixed molecular fingerprints/molecular descriptors and the other using graph convolutional neural networks to learn molecule representations. (biomedcentral.com)
  • A simple biophysical model they developed indicates that in picking out the target molecule from a crowd of look-alikes, the recognizer has an advantage if it's slightly off-target. (sciencedaily.com)
  • The methodology is applied to the optimization of non-bonded Mie potential parameters for three-site water models, ethanol and benzene. (aiche.org)
  • The multihit model postulates that several unique genetic mutations combine to cause cancer. (medscape.com)
  • Gene technology: basic and applied molecular genetic methods. (lu.se)
  • Deep neural networks provide a novel method of generating MD data efficiently, but there is no architecture that mitigates the well-known exposure bias accumulated by multi-step generations. (aaai.org)
  • Template self-replication 4 relies on binding of the precursors to the template by molecular recognition, usually combining a hydrogen bonding motif with size, shape and/or charge complementarity. (nature.com)
  • in vitro models are the most versatile method, because they facilitate analyzing any aspect of TBI, as long as a model is created to do so. (wikipedia.org)
  • in vitro models are useful for measuring forces among neurons, as there is much more freedom of space and time to measure the forces, as opposed to trying to fit the sensors in the brain itself. (wikipedia.org)
  • Laboratory methods for testing for malaria drug resistance include in vitro tests, molecular characterization, determination of drug levels, and animal models. (cdc.gov)
  • Relating in vitro to in vivo exposures with physiologically based tissue dosimetry and tissue response models. (cdc.gov)
  • To complement the in vivo system of chick embryos, we employ patient omics data, single cell RNA sequencing, human and mouse embryos, human cancer cell cultures, human pluripotent stem cells, chick embryo neural crest-derived in vitro crestosphere cultures, and zebrafish and mouse in vivo models. (lu.se)
  • To date, for both practical and ethical reasons, studies on muscle wasting have mainly depended on the use of murine models. (spandidos-publications.com)
  • This method facilitates the identification of markers of vascular activation and provides a molecular framework to understand the contribution of vascular dysfunction to the organ pathology of systemic inflammation. (lu.se)
  • For some drugs (chloroquine, sulfadoxine-pyrimethamine and similar drugs, atovaquone), molecular markers have been identified that confer resistance. (cdc.gov)
  • Molecular techniques, such as PCR or gene sequencing can identify these markers in blood taken from malaria-infected patients. (cdc.gov)
  • Molecular modeling has evolved from primitive models like hard spheres and square-wells to sophisticated descriptions of atomistic force laws, from the quantum scale to the mesoscale. (confex.com)
  • Gleaning valuable information from recent research in this area, it presents special techniques for accelerating the convergence of quantum Monte Carlo methods. (routledge.com)
  • Searching through molecular compound space using alchemy and quantum machine learning. (lu.se)
  • Glutamate, Glutamine and GABA Levels in Rat Brain Measured Using MRS, HPLC and NMR Methods in Study of Two Models of Autism. (bvsalud.org)
  • It integrates information from three-dimensional molecular alignments into correlation vector-based database screening. (unboundmedicine.com)
  • Furthermore, Y-scrambling was applied to evaluate the possibility of chance correlation of the predictive model. (peerj.com)
  • Use of CRISR/cas9 mediated gene editing for airway models. (unc.edu)
  • Minimal artificial replicators have been designed based on molecular recognition, inspired by the template copying of DNA, but none yet have been coupled to compartmentalisation. (nature.com)
  • The use of artificial intelligence for molecular design has been rapidly advancing. (aiche.org)
  • Generation of transgenic mouse models. (unc.edu)
  • [1] These models describe evolutionary changes in macromolecules (e.g. (wikipedia.org)
  • Estimates of evolutionary distances (numbers of substitutions that have occurred since a pair of sequences diverged from a common ancestor) are typically calculated using substitution models (evolutionary distances are used input for distance methods such as neighbor joining ). (wikipedia.org)
  • Multiple sequence alignment (in this case DNA sequences) and illustrations of the use of substitution models to make evolutionary inferences. (wikipedia.org)
  • It is also necessary to assume a substitution model to estimate evolutionary distances for pairs of sequences (distances are the number of substitutions that have occurred since sequences had a common ancestor). (wikipedia.org)
  • The evolutionary distance equation ( d 12 ) is based on the simple model proposed by Jukes and Cantor in 1969. (wikipedia.org)
  • The majority of substitution models used for evolutionary research assume independence among sites (i.e., the probability of observing any specific site pattern is identical regardless of where the site pattern is in the sequence alignment). (wikipedia.org)
  • You will use modern field and laboratory methods in studies of ecological and evolutionary issues applied on animals in basic research, as well as applied conservation-related research. (lu.se)
  • The Methods in Molecular and Materials Modelling series is a direct response to researcher feedback and seeks to combine foundational background information with practical, step-by-step guidance on the design, development, applications, and interpretation of molecular modelling methods in specific fields of interest. (elsevier.com)
  • A reasonable model is based on colon cancer development. (medscape.com)
  • Although the exact process has not been elucidated, the sum of these mutations is believed to lead to cancer development in this model. (medscape.com)
  • Development of methods for si/shRNA knockdown in airway cell models. (unc.edu)
  • The Committee agreed that, despite the considerable progress that had been made in investigating variola virus, significant components of this research, most notably the refinement and use of an animal model developed in 2001 and the development of antiviral drugs, were unlikely to be completed by the end of 2002. (who.int)
  • Examples of high molecular environmental factors are known to influence the development weight occupational allergens include proteases used in the and expression of asthma, and a vast array of triggers of asthma detergent industry, laboratory animal allergens, and ovalbumin have been identified. (cdc.gov)
  • Our main model organism is the chick embryo , ideal for functional and translational studies on neural crest development. (lu.se)
  • Molecular modelling methods are now indispensable tools in chemical, materials, and biomolecular sciences. (elsevier.com)