A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function
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Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performanceIdentification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual ScreeningDeciphering the signaling mechanisms of the plant cell wall degradation machinery in Aspergillus oryzaeCSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.Computational methods in drug discovery.Prediction of protein mutation effects based on dehydration and hydrogen bonding - A large-scale study.Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Multipose binding in molecular docking.Novel Histone Deacetylase Class IIa Selective Substrate Radiotracers for PET Imaging of Epigenetic Regulation in the Brain.Mouse Siglec-1 Mediates trans-Infection of Surface-bound Murine Leukemia Virus in a Sialic Acid N-Acyl Side Chain-dependent Manner.Comparative evaluation of several docking tools for docking small molecule ligands to DC-SIGN.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2.ProteinsPlus: a web portal for structure analysis of macromolecules.N-acyl derivatives of 4-phenoxyaniline as neuroprotective agents.Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules.Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective.Elucidating protein-protein interactions using the HYDE scoring function.Predicting the affinity of Farnesoid X Receptor ligands through a hierarchical ranking protocol: a D3R Grand Challenge 2 case study.The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus.Molecular dynamic simulations reveal structural insights into substrate and inhibitor binding modes and functionality of Ecto-Nucleoside Triphosphate Diphosphohydrolases.ClogP(alk): a method for predicting alkane/water partition coefficient.
P2860
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P2860
A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function
description
2013 nî lūn-bûn
@nan
2013 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
A consistent description of HY ...... hind the HYDE scoring function
@ast
A consistent description of HY ...... hind the HYDE scoring function
@en
A consistent description of HY ...... hind the HYDE scoring function
@nl
type
label
A consistent description of HY ...... hind the HYDE scoring function
@ast
A consistent description of HY ...... hind the HYDE scoring function
@en
A consistent description of HY ...... hind the HYDE scoring function
@nl
prefLabel
A consistent description of HY ...... hind the HYDE scoring function
@ast
A consistent description of HY ...... hind the HYDE scoring function
@en
A consistent description of HY ...... hind the HYDE scoring function
@nl
P2093
P2860
P3181
P1476
A consistent description of HY ...... hind the HYDE scoring function
@en
P2093
Gudrun Lange
Nadine Schneider
Robert Klein
Sally Hindle
P2860
P2888
P3181
P356
10.1007/S10822-012-9626-2
P407
P577
2013-01-01T00:00:00Z