Clearly, the reliability of the relative affinity of a candidate ligand relies on the validity of Eq.(6), and requires the simultaneous satisfaction of the following prerequisites for the pair of the candidate ligand and its reference ligand. (a) The candidate ligand and its reference ligand bind to the same site(s) on the target. In practice, the binding site(s) of the candidate ligand can be judged based on its competitive binding against a reference ligand but can not be optimized. (b) The candidate ligand and its reference ligand, in both the PMFS and the concentrated extract, produce peak areas within their own linear ranges. (c) The candidate ligand and its reference ligand, in both the PMFS and the concentrated extract, produce peak areas over five times the absolute values of their own intercepts of linear response. (d) The candidate ligand and its reference ligand have binding ratios of below 10% in the competitive binding system. All the later three prerequisites should be met by ...
TY - JOUR. T1 - Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism. AU - Shiau, Andrew K.. AU - Barstad, Danielle. AU - Radek, James T.. AU - Meyers, Marvin J.. AU - Nettles, Kendall W.. AU - Katzenellenbogen, Benita S.. AU - Katzenellenbogen, John A.. AU - Agard, David A.. AU - Greene, Geoffrey L.. N1 - Funding Information: We thank T. Earnest for advice and assistance at beamline 5.0.2 (ALS is funded by the US Department of Energy Office of Basic Energy Sciences). We also thank M. Butte, N. Ota and Y. Shibata for assistance with data collection; P. Coward, A. Derman, and Y. Li for comments on the manuscript; and H. Deacon for extensive graphical assistance. This work was supported by the NIH (B.S.K, J.A.K. and D.A.A), the Howard Hughes Medical Institute (D.A.A.), the Susan G. Komen Breast Cancer Foundation (G.L.G.), the USAMRMC (G.L.G.) and the Illinois Department of Public Health (G.L.G). In the initial phases of this work, A.K.S. ...
Protein target information for Chain A, WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL (human). Find diseases associated with this biological target and compounds tested against it in bioassay experiments.
Ligand binding assays (LBA) is an assay, or an analytic procedure, whose procedure or method relies on the binding of ligand molecules to receptors, antibodies or other macromolecules. A detection method is used to determine the presence and extent of the ligand-receptor complexes formed, and this is usually determined electrochemically or through a fluorescence detection method. This type of analytic test can be used to test for the presence of target molecules in a sample that are known to bind to the receptor. There are numerous types of ligand binding assays, both radioactive and non-radioactive. As such, ligand binding assays are a superset of radiobinding assays, which are the conceptual inverse of radioimmunoassays (RIA). Some newer types are called mix-and-measure assays because they do not require separation of bound ligands. Ligand binding assays are used primarily in pharmacology for various demands. Specifically, despite the human bodys endogenous receptors, hormones, and other ...
The nature of the ligands dictates the composition, molecular formulae, atomic structure and the physical properties of thiolate protected gold nanomolecules, Aun(SR)m. In this review, we describe the ligand effect for three classes of thiols namely, aliphatic, AL or aliphatic-like, aromatic, AR, or bulky, BU thiol ligands. The ligand effect is demonstrated using three experimental setups namely: (1) The nanomolecule series obtained by direct synthesis using AL, AR, and BU ligands; (2) Molecular conversion and interconversion between Au38(S-AL)24, Au36(S-AR)24, and Au30(S-BU)18 nanomolecules; and (3) Synthesis of Au38, Au36, and Au30 nanomolecules from one precursor Aun(S-glutathione)m upon reacting with AL, AR, and BU ligands. These nanomolecules possess unique geometric core structure, metal-ligand staple interface, optical and electrochemical properties. The results unequivocally demonstrate that the ligand structure determines the nanomolecules atomic structure, metal-ligand interface and
TY - CHAP. T1 - Induction of cell adhesion and cell spreading by various cell surface ligands. AU - Grinnell, F.. PY - 1977. Y1 - 1977. UR - http://www.scopus.com/inward/record.url?scp=17344391658&partnerID=8YFLogxK. UR - http://www.scopus.com/inward/citedby.url?scp=17344391658&partnerID=8YFLogxK. M3 - Chapter. AN - SCOPUS:17344391658. VL - 6. BT - Journal of Supramolecular and Cellular Biochemistry. ER - ...
Glyconanomaterials, nanomaterials carrying multiple carbohydrate ligands, provide an excellent platform for sensitive protein recognition. Using nanomaterials as the scaffold, multivalent interactions between glycan ligands and proteins have been demonstrated. However, the quantitative analysis of the binding affinity of these glyconanomaterials has been lacking. In this Article, we report a new method to measure the binding affinity of glyconanoparticle (GNP)-protein interactions based on a fluorescent competition binding assay, which yielded the apparent dissociation constant (K-d) of GNPs with the interacting protein. Au nanoparticles conjugated with underivatized mono-, oligo-, and polysaccharides were synthesized using our recently developed photocoupling chemistry. The affinities of these GNPs with lectins were measured and were several orders of magnitude higher than the corresponding free ligands with lectins. The effect of ligand display on the binding affinity of GNPs was, furthermore, ...
PREFACE TO THE SIXTH EDITION. ABBREVIATIONS.. 1. Applications in Coordination Chemistry.. 1.1. Ammine, Amido, and Related Complexes.. 1.2. Complexes of Ethylenediamine and Related Ligands.. 1.3. Complexes of Pyridine and Related Ligands.. 1.4. Complexes of Bipyridine and Related Ligands.. 1.5. Metalloporphyrins.. 1.6. Metallochlorins, Chlorophylls, and Metallophthalocyanines.. 1.7. Nitro and Nitrito Complexes.. 1.8. Lattice Water and Aquo and Hydroxo Complexes.. 1.9. Complexes of Alkoxides, Alcohols, Ethers, Ketones, Aldehydes, Esters, and Carboxylic Acids.. 1.10. Complexes of Amino Acids, EDTA, and Related Ligands.. 1.11. Infrared Spectra of Aqueous Solutions.. 1.12. Complexes of Oxalato and Related Ligands.. 1.13. Complexes of Sulfate, Carbonate, and Related Ligands.. 1.14. Complexes of b-Diketones.. 1.15. Complexes of Urea, Sulfoxides, and Related Ligands.. 1.16. Cyano and Nitrile Complexes.. 1.17. Thiocyanato and Other Pseudohalogeno Complexes.. 1.18. Complexes of Carbon Monoxide.. 1.19. ...
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Multivalency achieves strong, yet reversible binding by the simultaneous formation of multiple weak bonds. It is a key interaction principle in biology and promising for the synthesis of high-affinity inhibitors of pathogens. We present a molecular model for the binding affinity of synthetic multivalent ligands onto multivalent receptors consisting of n receptor units arranged on a regular polygon. Ligands consist of a geometrically matching rigid polygonal core to which monovalent ligand units are attached via flexible linker polymers, closely mimicking existing experimental designs. The calculated binding affinities quantitatively agree with experimental studies for cholera toxin (n = 5) and anthrax receptor (n = 7) and allow to predict optimal core size and optimal linker length. Maximal binding affinity is achieved for a core that matches the receptor size and for linkers that have an equilibrium end-to-end distance that is slightly longer than the geometric separation between ligand core ...
This invention is directed to a ligand-receptor assay for determining the presence of at least one target ligand, capable of competing with a ligand analogue conjugate for binding sites available on a ligand receptor, said ligand analogue conjugate comprising at least one ligand analogue coupled to a colloidal gold particle, in a fluid sample suspected of containing said target ligand comprising the steps of: a. contacting said fluid sample with said ligand analogue conjugate and said ligand receptor to form a homogeneous reaction mixture, the relative amounts of said ligand analogue conjugate and said ligand receptor being selected such that in the absence of said target ligand and subsequent to substantially equilibrium binding in said reaction mixture, substantially all of said ligand analogue conjugate is bound to said ligand receptor such that no unbound ligand analogue conjugate is detected as a result of the assay method; b. detecting unbound ligand analogue conjugates in said reaction mixture by
Antagonist-bound closed state GluA2 density map quality and resolutiona,b, GluA2em antagonist-bound closed state density map with coordinates for ATD dimers, LB
The new β2 Adrenoceptor (β2AR) crystal structures provide a high-resolution snapshot of receptor interactions with two particular partial inverse agonists, (−)-carazolol and timolol. However, both...
TY - JOUR. T1 - Comparison between single saturating dose ligand binding assay and enzyme immunoassay for low-salt extractable oestrogen and progesterone receptors in breast cancer. T2 - A multicentre study. AU - Gion, Massimo. AU - Dittadi, Ruggero. AU - Leon, Antonette E.. AU - Bruscagnin, Giuliano. AU - Pelizzola, Dario. AU - Giovannini, Gloria. AU - Giganti, Melchiorre. AU - Messeri, Gianni. AU - Quercioli, Massimo. AU - Flamini, Emanuela. AU - Riccobon, Angela. AU - Bozzetti, Cecilia. AU - Benecchi, Magda. AU - De Lena, Mario. AU - Paradiso, Angelo. AU - Ruggeri, Giuseppina. AU - Luisi, Patrizia. AU - Piffanelli, Adriano. PY - 1991. Y1 - 1991. N2 - An excellent correlation between ligand binding assay (LBA) and enzyme immunoassay (EIA) for both oestrogen (ER) and progesterone (PR) receptors has been reported. Nevertheless, considering that the clinical value of any discrepancy between LBA and EIA probably varies with the receptor level, we undertook a collaborative study in which a single ...
article{8565564, abstract = {Currently, there is mounting evidence that intermolecular receptor-receptor interactions may result in altered receptor recognition, pharmacology and signaling. Heterobivalent ligands have been proven useful as molecular probes for confirming and targeting heteromeric receptors. This report describes the design and synthesis of novel heterobivalent ligands for dopamine D-2-like receptors (D-2-likeR) and the -opioid receptor (OR) and their evaluation using ligand binding and functional assays. Interestingly, we identified a potent bivalent ligand that contains a short 18-atom linker and combines good potency with high efficacy both in -arrestin2 recruitment for OR and MAPK-P for D4R. Furthermore, this compound was characterized by a biphasic competition binding curve for the D4R-OR heterodimer, indicative of a bivalent binding mode. As this compound possibly bridges the D4R-OR heterodimer, it could be used as a pharmacological tool to further investigate the ...
Описан подробный протокол для выполнения титрования ELISA. Кроме того представлен Роман алгоритм оценки титрования ELISAs и получить...
In case functional assays are available TriCEPS coupled ligands can also be tested to see if a similar output is achievable with a TriCEPS coupled ligand compared to a ligand that is not coupled to TriCEPS.. In addition, TriCEPS V2.0 can be utilized as Flow Cytometry (FACS) reagent for detecting binding of primary amine containing molecules to cells.. As first step, the TriCEPS v.2.0 molecule is coupled to the ligand of interest (peptide, protein, Antibody, ADC or other primary amine containing molecules) and to the positive control ligand (e.g. transferrin) and negative control ligand (e.g. glycine). This coupling reaction is tested with Dot blot to assess if the coupling worked.. Then, the TriCEPS coupled ligands are then added to the non-oxidized cells to show that the ligand binds to the unknown targets at the cell surface and TriCEPS does not interfere with the ligand receptor interaction.. Flow Cytometry tests with TriCEPS coupled ligand on oxidized cells can be further performed to test ...
Binding Affinity Prediction of Protein-Ligand complex containing Zinc [ BAPPL-Z ] server computes the binding free energy of a zinc containing metalloprotein-ligand complex using an all atom energy based empirical scoring function
Recently the first community-wide assessments of the prediction of the structures of complexes between proteins and small molecule ligands have been reported in the so-called GPCR Dock 2008 and 2010 assessments. In the current review we discuss the different steps along the protein-ligand modeling workflow by critically analyzing the modeling strategies we used to predict the structures of protein-ligand complexes we submitted to the recent GPCR Dock 2010 challenge. These representative test cases, focusing on the pharmaceutically relevant G Protein-Coupled Receptors, are used to demonstrate the strengths and challenges of the different modeling methods. Our analysis indicates that the proper performance of the sequence alignment, introduction of structural adjustments guided by experimental data, and the usage of experimental data to identify protein-ligand interactions are critical steps in the protein-ligand modeling protocol.
Background: Using the popular program AutoDock, computer-aided docking of small ligands with 6 or fewer rotatable bonds, is reasonably fast and accurate. However, docking large ligands using AutoDocks recommended standard docking protocol is less accurate and computationally slow. Results: In our earlier work, we presented a novel AutoDock-based incremental protocol (DINC) that addresses the limitations of AutoDocks standard protocol by enabling improved docking of large ligands. Instead of docking a large ligand to a target protein in one single step as done in the standard protocol, our protocol docks the large ligand in increments. In this paper, we present three detailed examples of docking using DINC and compare the docking results with those obtained using AutoDocks standard protocol. We summarize the docking results from an extended docking study that was done on 73 protein-ligand complexes comprised of large ligands. We demonstrate not only that DINC is up to 2 orders of magnitude ...
While human and mouse genetics consistently have unveiled various physiological roles of members of the pGC family, overall the mode of ligand‐dependent as well as ligand‐independent activation of these transmembrane enzymes leading to intracellular cGMP synthesis remains enigmatic. The intracellular region of pGCs consists of a juxtamembranous protein kinase-homology domain, an amphipathic α‐helical or hinge region, and the C‐terminal cyclase catalytic domain (Fig 1) (reviewed by Potter, 2011). The hinge region is involved in higher order oligomerization. Hence, although pGCs contain a single cyclase site per polypeptide chain, receptor dimerization is essential for the activation of this cGMP‐synthesizing domain (Potter, 2011). The crystal structures of the extracellular domain of GC‐A, in complex with atrial natriuretic peptide, or in absence of the ligand, suggested that hormone binding induces a rotation of the juxtamembrane domains, which is transmitted across the ...
The use of surrogates either as native orthologous proteins or as optimized chimeras, which can be readily crystallized and soaked with small molecules, has been validated by its success in other fields, particularly in guiding kinase inhibitor development (Ikuta et al., 2001; Breitenlechner et al., 2004). One should bear in mind, however, that the surrogate approach has its limitations, and local structural differences may have considerable effect on ligand binding (Davies et al., 2007). HIV-1 and PFV INs are fully orthologous, with identical canonical domain folds and stoichiometry. Fortuitously, all intasome atoms (protein, DNA, metal ions) that are in contact with the soaked INSTI molecules are invariant between HIV-1 and PFV (Hare et al., 2010a). Thus, we expect that structural differences between HIV-1 and PFV intasomes that are directly relevant to INSTI binding will be small. An unbiased test of this idea can be made by comparing the active sites in isolated catalytic core domains from ...
Recently, N,N-trans Re(O)(LN-O)2X (LN-O = monoanionic N-O chelates; X = Cl or Br prior to being replaced by solvents or alkoxides) complexes have been found to be superior to the corresponding N,N-cis isomers in the catalytic reduction of perchlorate via oxygen atom transfer. However, reported methods for Re(O)(LN-O)2X synthesis often yield only the N,N-cis complex or a mixture of trans and cis isomers. This study reports a geometry-inspired ligand design rationale that selectively yields N,N-trans Re(O)(LN-O)2Cl complexes. Analysis of the crystal structures revealed that the dihedral angles (DAs) between the two LN-O ligands of N,N-cis Re(O)(LN-O)2Cl complexes are less than 90°, whereas the DAs in most N,N-trans complexes are greater than 90°. Variably sized alkyl groups (−Me, −CH2Ph, and −CH2Cy) were then introduced to the 2-(2′-hydroxyphenyl)-2-oxazoline (Hhoz) ligand to increase steric hindrance in the N,N-cis structure, and it was found that substituents as small as −Me ...
In the case of the CaM-CaMKK complex, we obtained a set of desired near-native decoys with lowest interaction energy (Figure 3) and high Tc-IFPs (Figure 4). These results are explained by the structure of the CaM-CaMKK complex, which is different from those of the CaM-CNG and CaM-PMCA complexes. The globular cognate structure of CaM in the CaM-CaMKK complex differed only slightly from that of the CaM-CNG complex, indicating that the cavity of the CaM-CaMKK complex is narrower than that of the CaM-CNG complex, as shown in Figure 2. In contrast to the simple alpha helical structure of the CNG and PMCA ligand peptides, the CaMKK ligand peptide has an additional loop region in the C-terminal end. These structural features of the ligand have contributed in obtaining a set of near-native decoys for the CaM-CaMKK complex. In context with the shape of the ligand peptide, it is noteworthy that we found CaM-CNG b-decoys in which the CNG was bound to the CaM cavity in an inverse manner as compared to the ...
A soluble factor produced by HTU-34 cells is responsible for αvβ3 ligand-binding activity and recruitment to FCs. (A) Adhesion assay. Treatment of HTU-34 cel
Hi, When you say wrong postion, what does it mean? are the 2 ligands you are trying to refine being pushed away from each other? If that is the case first thing I would check is the ALTLOC comlumn of their pdb file entries. Make sure one is ALTLOC A and the other ALTLOC B. I have refined with ligands in four different positions before using phenix before and got satisfactory results... Hope this helps, -- Yuri Pompeu ...
The fact that over 30% of current pharmaceuticals target heptahelical G protein-coupled receptors (GPCRs) attests to their tractability as drug targets. While GPCR drug development has traditionally focused on conventional agonists and antagonists, the growing appreciation that GPCRs mediate physiologically relevant effects via both G protein and non-G protein effectors has prompted the search for ligands that can bias downstream signaling in favor of one or the other process. Biased ligands are novel entities with distinct signaling profiles dictated by ligand structure, and the potential prospect of biased ligands as better drugs has been pleonastically proclaimed. Indeed, preclinical proof-of-concept studies have demonstrated that both G protein and arrestin pathway-selective ligands can promote beneficial effects in vivo while simultaneously antagonizing deleterious ones. But along with opportunity comes added complexity and new challenges for drug discovery. If ligands can be biased, then ...
Carroll, F., Blough, B., Mascarella, S., Xu, H., Goodman, C. B., & Rothman, R. B. (1993). Synthesis and Ligand Binding at PCP Sites 1 and 2 for Hexahydro-2-substituted-1-methylindeno[1,2-b]pyrroles. Medicinal Chemistry Research, 3, 178 ...
The Rho GTPases are known regulators of the actin cytoskeleton and affect multiple cellular activities including cell morphology, polarity, migration, proliferation and apoptosis, phagocytosis, cytokinesis, adhesion, vesicular transport, transcription, and neurite extension and retraction. Like DOCK2, DOCK8 is likely to regulate the activity of GTPases and thus be involved in cytoskeletal changes associated with various cellular processes. DOCK8 is proposed to serve as an effector downstream of CD19 and PI3K to promote G protein signaling events critical for integrin polarization at the synapse and for the survival of marginal zone B cells and germinal center (GC) B cells. During a T cell-dependent humoral immune response, CD4+ T helper cell subsets including TFH, Th1 and Th2 cells migrate to the T cell/B cell borders in secondary lymphoid organs, and interact with cognate antigen-specific B cells through the pairing of T cell and B cell surface ligands and receptors such as CD40 with its ligand ...
Flt3-ligand (FMS related tyrosine kinase 3 ligand, flk-2 ligand) is involved in proliferation and differentiation of early hematopoietic cells. Flt3-ligand synergizes with other CSFs and interleukins to induce proliferation of early hematopoietic cells but does not stimulate growth or differentiation alone. Flt3-ligand binds to cells expressing the tyrosine kinase receptor Flt3. Multiple isoforms of Flt3 ligand have been identified but the predominant biologically active isoform is a transmembrane protein which can be proteolytically cleaved to generate a biologically active soluble form. ...
Low-affinity ligands can be efficiently optimized into high-affinity drug leads by structure based drug design when atomic-resolution structural information on the protein/ligand complexes is availabl
The problem with method #1 is that it is very labor intensive, and that any compound proposed may be difficult and/or expensive to acquire. The problem with approach #2 is that the compounds may still be difficult to acquire, although there are strategies to overcome this limitation. It can also be, relatively speaking, slow. The third approach, docking, is the one taken by DOCK and its graphical user interface, DOCK Blaster. It is particularly pragmatic when used to screen a database of compounds that can be acquired rapidly, such as those in ZINC, because the time from hypothesis to experimental test can be very short, and the project can progress rapidly. ...
Serotonin receptors (5-HTRs), especially the 5-HT1A subtype, have been the subject of intensive research for the past decade, due to their function in human physiology. Several structurally different classes of ligands are known to bind to the 5-HT1A receptor, but arylpiperazine derivatives are among the most important ligands. In the work, docking analyses were used to explain the binding affinities of a series of ligands with different N-1 substituent. All ligands had in common the arylpiperazine structure, while the N-1 subsistent was modified to investigate the influence of ligand structure on its binding affinity. The shape and size, as well as the rigidity of the subsistents were altered to investigate the possible effects on the formation of the receptor - ligand complex ...
Ligand binding affinities at G-protein coupled receptors (GPCRs) have historically been determined using a radioligand that competes for receptor binding sites against an unlabeled drug-like compound. But the potential hazards of open-source radioisotope handling, and the environmental impact of radioisotope disposal, make this a less desirable and costly technology. Therefore, new fluorescent based alternatives have been developed to replace radioligands.
Aspartate mutation distinguishes ETA but not ETB receptor subtype-selective ligand binding while abolishing phospholipase C activation in both receptors.: The e
Photoaffinity cross‐linking is a rapidly developing technology for studying biomolecular interactions, including protein ligand‐receptor binding
One of the major challenges in the field of system biology is to understand the interaction between a wide range of proteins and ligands. In the past, methods have been developed for predicting binding sites in a protein for a limited number of ligands.. ...
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Soluble ligands have growing interest as targets and constitute 10% of novel targets in clinical trials. Photograph: Matton Soluble ligands have...
Supplementary Materialscancers-12-01427-s001. we show that RL2 is usually targeted to mitochondria after internalization into the cells, where it can also be found in the dimeric form. The importance of TOM70 and RL2 conversation in RL2-induced reduction in ATP levels was validated by siRNA-induced downregulation of CEP33779 TOM70, resulting in the partial rescue of ATP production. Taken together, this study demonstrates that RL2CTOM70 conversation plays a key role in RL2-mediated cell death and targeting this pathway may provide new therapeutic options for treating breast malignancy. 0.05), ** (significant; 0.01), *** (significant; 0.005), **** (significant; 0.001). You will find two ways of apoptosis induction: extrinsic and intrinsic. The extrinsic apoptotic signaling is usually brought on by ligand binding to the death receptors (DRs), e.g., CD95 (APO-1/Fas) [13,14] CEP33779 or TRAIL-R1/2 [15]. The specific ligand binding to the receptor results in formation of the death inducing signaling ...
Structural and Dynamical Insight into PPARγ Antagonism: In silico Study of the Ligand-Receptor Interactions of non-Covalent Antagonists
ParDOCK is an all-atom energy based Monte Carlo protein ligand docking, implemented in a fully automated, parallel processing mode which predicts the binding mode of the ligand in receptor target site
A method is disclosed for coupling a ligand within a porous support. The method involves mixing ligand and porous support under conditions sufficient to suppress coupling conditions of the ligand to the porous support while enhancing the relative rate of diffusion, to the rate of reaction, of the ligand into and within the porous support, and then altering the conditions to enhance rapid coupling of the ligand within the porous support. The alteration from diffusion conditions to coupling conditions involves a change in the reaction solution of pH, ionic strength, temperature, coupling competitor, such that a relatively lower Thiele Modulus during diffusion conditions changes to a relatively higher Thiele Modulus during coupling conditions. Derivatized porous supports produced according to the method are also disclosed. The derivatized porous support has enhanced functional efficiency. Derivatized porous supports prepared from azlactone-functional porous supports are also disclosed ...
TFA Salt. Storage:. Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.. Note:. This product as supplied is intended for research use only, not for use in human, therapeutic or diagnostic applications without the expressed written authorization of United States Biological.. Documents:. MSDS ...
Users can interactively analyze protein-small ligand binding modes with statistically determined interaction patterns rather than relying on a priori knowledge of the users.
Bishwa I am using Phenix 1.0-1069 for refinement and coot 0.7-pre-1 for , visualization , and rebuilding. I used SMILES in coot to build the ligand and then merged , them , with PDB.I had to do this as a separate step for both chains and the .cif , file , so produced was not accepted for refinement. , Why? Can you send me the files directly? , , I used readyset to obtain the restrains for refinement using .pdb file, , even , though my refinement works, when i try to run real build refine in coot I , get , this error message: , It would be better to generate the restraints using the SMILES in eLBOW and then pass the restraints file to ReadySet!. Send me the file and we can fix them Nigel NB. Any files sent to me will be held in strictest confidence. , , Failed to match (to the dictionary) the following model atom names: , HB3 , O6 C10 C11 C12 O7 C13 O5 C8 C9 ...... , That would cause exploding atoms, so the refinement didnt start. , , Could someone help me with fixing this ...
Reactome is pathway database which provides intuitive bioinformatics tools for the visualisation, interpretation and analysis of pathway knowledge.
Reactome is pathway database which provides intuitive bioinformatics tools for the visualisation, interpretation and analysis of pathway knowledge.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Faculty of Science and Technology, Biology, Department of Cell and Molecular Biology. ...