*  Theoretical and Computational Chemistry - Study - Cardiff University
... advanced methods of molecular dynamics simulation and importance sampling, thermal and electronic transport calculations, ... together with further colleagues applying modelling methods. ...
  http://www.cardiff.ac.uk/study/postgraduate/research/programmes/area/theoretical-and-computational-chemistry
*  Computational Chemistry and Molecular Modeling Support Group
... Services. The Computational Chemistry and Molecular Modeling ... Computational Chemistry and Molecular Modeling Support Group * Shared and Core Facilities * Computational Chemistry and ... Quantum mechanical (QM) or molecular mechanical (MM) calculations to evaluate the importance of residues in and around active ... the group is able to develop structures that mimic the behavior of molecules or molecular reactions. Background. Types of ...
  https://www.niehs.nih.gov/research/atniehs/facilities/compmole/
*  IJMS | Free Full-Text | Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the Histone...
Molecular docking of these hits reduced the false positives and identified two potential compounds to be used in future HDAC8 ... In an effort to facilitate the future discovery of HDAC8 inhibitors, we developed two pharmacophore models containing six and ... Active site complimenting structure-based pharmacophore models were developed using Discovery Studio 2.5 program and validated ... were clustered based on single-linkage method and representative structures were taken to be used in the pharmacophore model ...
  http://www.mdpi.com/1422-0067/12/12/9440
*  Use of non-crystallographic symmetry in protein structure refinement
Department of Cell and Molecular BiologyStructural Molecular Biology Search outside of DiVA. GoogleGoogle Scholar. ... when applied to non-crystallographically related protein models, are able to discriminate between significant differences and ' ... Department of Cell and Molecular Biology, Structural Molecular Biology. ... Department of Cell and Molecular Biology. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Faculty of Science ...
  http://uu.diva-portal.org/smash/record.jsf?pid=diva2:108035
*  Three dimensional shape comparison of flexible proteins using the local-diameter descriptor
Molecular Beacon Aptamers for Protein Monitoring in Real-Time and in Homogeneous Solutions. Cao, Zehui; Suljak, Steven W.; ... Most phylogenetic models of protein evolution assume that sites are independent and identically distributed. Interactions ... What's in a Likelihood? Simple Models of Protein Evolution and the Contribution of Structurally Viable Reconstructions to the ... Biochemistry matters. Kornberg, Arthur // Nature Structural & Molecular Biology;Jun2004, Vol. 11 Issue 6, p493 Discusses the ...
  http://connection.ebscohost.com/c/articles/42634732/three-dimensional-shape-comparison-flexible-proteins-using-local-diameter-descriptor
*  A Single P-loop Glutamate Point Mutation to either Lysine or Arginine Switches the Cation-Anion Selectivity of the CNGA2...
B) A schematic model of the proposed topology of the channel pore of the cation-selective WT olfactory CNGA2 channel, showing ... The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science. 280:69-77. ... The overall hypothetical model for these selectivity effects in the CNGA2 channels is given in Fig. 11, which schematically ... C) An analogous schematic model of the proposed topology of the anion-selective E0′K or E0′R olfactory CNGA2 channel, with the ...
  http://jgp.rupress.org/content/127/4/375
*  "Beta Atomic Contacts: Identifying Critical Specific Contacts in Protei" by Qian Lu, Chu Hong HOI et al.
β contacts thus provide a new model for more precise description of atomic organization in protein quaternary structures than ... Specific binding between proteins plays a crucial role in molecular functions and biological processes. Protein binding ... Specific binding between proteins plays a crucial role in molecular functions and biological processes. Protein binding ... β contacts thus provide a new model for more precise description of atomic organization in protein quaternary structures than ...
  http://ink.library.smu.edu.sg/sis_research/2296/
*  Inspiration: Vintage Molecular Models | Apartment Therapy
... but we can't help loving the look of these vintage molecular models ... but we can't help loving the look of these vintage molecular models. We first spotted them at our friend Jeremy's pad when we ...
  https://www.apartmenttherapy.com/inspiration-vintage-molecular-88643
*  Molecular Models by Maggie Hathcoat on Prezi
Transcript of Molecular Models. Molecular Models. enzymes. sugars. dehydration synthesis. hydrolysis. peptide bond. glycosidic ...
  https://prezi.com/r85ljj2vpwx3/molecular-models/
*  Molecular modeling and simulation | Open Library
Molecular modeling and simulation by Tamar Schlick; 1 edition; First published in 2010; Subjects: Models, Computer simulation, ... Molecular modeling and simulation an interdisciplinary guide 2nd ed. Tamar Schlick Published 2010 by Springer in New York . ... Are you sure you want to remove Molecular modeling and simulation from your list? ... Citation ,publisher = Springer ,ol = 25101280M ,publication-place = New York ,title = Molecular modeling and simulation ,url = ...
  https://openlibrary.org/works/OL16282642W/Molecular_modeling_and_simulation
*  Molecular modeling of antigenic peptide
... S. Ramakrishnan ramakris at podunk.cps.msu.edu Wed May 26 14:10:50 EST 1993 *Previous ... I am interested in molecular modeling of Antigenic peptide of M Leprae and its interaction with T cell CD4+ with the MHCII ... Is the structure of MHCII known with the coordinates so that this input can be used to model and study the interaction between ...
  http://www.bio.net/bionet/mm/immuno/1993-May/000371.html
*  new links in molecular modeling
... arthur roberts arthurr at WSUNIX.WSU.EDU Mon Jun 14 11:03:46 EST 1999 *Previous message: ... biophysicist and molecular biologist. This site is constantly evolving and expanding, so it can be easy to use, reliable, and ...
  http://www.bio.net/bionet/mm/molmodel/1999-June/001458.html
*  MOAC MSc Module CH926 - Molecular Modelling
Aim: To introduce students to molecular modelling techniques as applied to biological systems with particular emphasis on the ... Classical Methods: Molecular Mechanics, Molecular Dynamics & Metropolis Monte Carlo; thermodynamic and transport properties; ... application of computer modelling to molecular aggregates such as membranes. Illustrative Bibliography: *G.H. Grant & W.G. ... Syllabus: Coordinate systems: how to describe 3-D molecular structure. Potential energy surfaces: quantum & empirical; ...
  https://warwick.ac.uk/fac/sci/moac/degrees/moac/ch926/
*  Foundations of Molecular Modeling and Simulation | SpringerLink
Density Functional Theory FOMMS 2015 Molecular Dynamics Molecular Simulation Molecular modeling Monte Carlo Simulation ... molecular science, and engineering simulation. The theme of the 2015 meeting focuses on Molecular Modeling and the Materials ... Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages ... Atomistic Modeling and Simulation for Solving Gas Extraction Problems Genri E. Norman, Vasily V. Pisarev, Grigory S. Smirnov, ...
  https://link.springer.com/book/10.1007%2F978-981-10-1128-3
*  A NEW NEWSGROUP? bionet.molecular.modelling
... Dave Kristofferson kristoff at NET.BIO.NET Fri Apr 22 19:19:21 EST 1994 *Previous ...
  http://www.bio.net/bionet/mm/bioforum/1994-April/008582.html
*  KJM5630 - Molecular modelling - University of Oslo
10 credits overlap with KJM3600 - Molecular Modeling (continued). *10 credits overlap with KJM4600 - Molecular Modeling ( ... The course is designed to give students in chemistry and related subjects an introduction to the theory for molecular modeling ... Explain strengths and weaknesses of different models (molecular mechanics, semi-empirical, wavefunction based and density ... and use of modeling as a tool in chemical research. Considerable emphasis will be placed on practical use of modeling and an ...
  http://www.uio.no/studier/emner/matnat/kjemi/KJM5630/index-eng.html
*  Chime Molecular Models
Jmol Models. Chime Models Acetanilide. Acetic Acid. Aniline. Benzene. Ethanol. Ethyl Acetate. Glycerol. Indigo. Mauveine. ... Chime Molecular Models:. To use the Chime plugin, you must install it on your computer. ... "Jmol Models" link from the navigation bar. Jmol requires no installation. ...
  http://www.cavemanchemistry.com/chime/chime.html
*  Molecular model, artwork: Royalty Free #11175506
... molecular model, computer artwork.. 1.3 MB. 4850 x 3638. From $500. Royalty free vector, graphic, illustration. Download now ... Footage Music After Effects Sound Effects Photos Illustrations 3D Models Public Domain ... molecular molecule, research, round artwork, atom, biology, biomedical illustration, bond, chemical, chemistry, close up, ... coloured, full frame, human biology, illustration, large group of objects, model, molecular molecule, research, round ...
  https://www.pond5.com/illustration/11175506/molecular-model-artwork.html
*  Forums for Ghemical: Molecular modelling - Bioinformatics.org
Bioinformatics community open to all people. Strong emphasis on open access to biological information as well as Free and Open Source software.
  http://www.bioinformatics.org/forums/?group_id=41
*  Molecular model - Wikipedia
Molecular design software Molecular graphics Molecular modelling Ribbon diagram Software for molecular mechanics modeling Space ... The creation of mathematical models of molecular properties and behaviour is molecular modelling, and their graphical depiction ... Molecular graphics has replaced some functions of physical molecular models, but physical kits continue to be very popular and ... Molecular models have inspired molecular graphics, initially in textbooks and research articles and more recently on computers ...
  https://en.wikipedia.org/wiki/Molecular_model
*  Molecular modelling - Wikipedia
... nanostructures modeling Molecular design software Molecular engineering Molecular graphics Molecular model Molecular modeling ... Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. ... The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include ... or explicitly modelling electrons of each atom (a quantum chemistry approach). Molecular mechanics is one aspect of molecular ...
  https://en.wikipedia.org/wiki/Molecular_modelling
*  Molecular models of DNA - Wikipedia
Molecular modeling of RNA polymerase. Molecular modeling of a bacterial DNA primase template. Molecular modeling of DNA ... Molecular modeling of DNA repair Animated skeletal model of A-DNA. Simplified models of chromatin. Simplified model of ... The DNA model shown (far right) is a space-filling, or CPK, model of the DNA double helix. Animated molecular models, such as ... DNA spacefilling molecular model A model of a designed DNA tetrahedron. 15 m long DNA model, Naturalis Biodiversity Center ...
  https://en.wikipedia.org/wiki/Molecular_models_of_DNA
*  "Ab initio Quantum Chemistry Methods for Modeling Molecular Excited Sta" by Xinle Liu
Modeling electronic relaxation process is very challenging, however, for 2 reasons: i) Obtaining accurate potential energy ... Understanding electron and energy transfer at the molecular level is essential, since they must compete with deactivation ... Historically Configuration Interaction Singles (CIS) has been the standard method for modeling electronic excited states with ... and thus one has to model nonadiabatic dynamics. This thesis is focused on the first problem above, i.e. solving the electronic ...
  https://repository.upenn.edu/edissertations/1852/
*  MolyMod Molecular Model Sets - Molyorbital sets | Sigma-Aldrich
Build custom model sets or upgrade your current sets with Molymod components offered by Sigma-Aldrich. ... MolyMod Molecular Model Sets for building molyorbital systems. ... 14-model collection set. Contains 1s; 2s; 2p; 3d; 2s+ 3 x 2p; ... The atomic and molecular orbital parts are represented by pastel/matte colored pieces and are color-coded according to their ... 4-model collection set. Contains sufficient parts to make benzene, ethane, ethene, and ethyne. Shows sigma and pi bonding ...
  https://www.sigmaaldrich.com/labware/products/molymod/molyorbital-153-sets.html
*  Protecting One Source of Energy from Another | COMSOL Blog
Gear Modeling series Geothermal Energy series Graphene Hybrid Modeling series Intro to Application Builder Videos IoT Modeling ... Gear Modeling series Geothermal Energy series Graphene Hybrid Modeling series Intro to Application Builder Videos IoT Modeling ... While our interest in their work has concentrated on modeling aspects, they are also very competent in running practical ... Chemical Reactions series Modeling Irregular Shapes Multiscale Modeling in High-Frequency Electromagnetics Parallel Computing ...
  https://www.comsol.se/blogs/protecting-one-source-of-energy-from-another/