Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT.
about
Fast automated placement of polar hydrogen atoms in protein-ligand complexesBound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motifKinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug designThe Art of Compiling Protein Binding Site Ensembles.DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles.Hydrophobicity--shake flasks, protein folding and drug discovery.The role of protonation states in ligand-receptor recognition and binding.ProteinsPlus: a web portal for structure analysis of macromolecules.Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes.Factors influencing protein tyrosine nitration--structure-based predictive models.Intuitive, but not simple: including explicit water molecules in protein-protein docking simulations improves model quality.In Silico ADME/Tox Predictions
P2860
Q27998699-1972C7FA-A864-4087-B0E3-387E60722F82Q28744655-1DD01098-6511-4079-8732-64B168691743Q28829862-ABB2FB6B-E05C-4EDD-B8DD-D8C2707BF954Q30395448-C9A1D734-9BC5-489E-BB48-1CF8FB582B3DQ30837264-D94B7248-F199-4B64-9DB2-7D09BBAAFF4EQ37636267-5DC90A09-2341-45C6-84EF-18E6A47FFA66Q38061449-2CA53889-9F10-4464-91A9-8E812D28E443Q38687678-C5B5A9DC-4037-4978-893A-2564BCE77640Q39556598-C7CEEAE1-03FD-4B0E-B2C7-19D4900F8834Q41997682-908CFD88-3271-4798-9FEA-8C44514A7407Q44990288-3878DF56-1474-4BFF-BF80-EC1C8709E8D0Q56984194-5C22A864-0210-49F1-B2D9-E0EFE6EE6B26
P2860
Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Web application for studying t ...... igand complexes based on HINT.
@en
Web application for studying t ...... igand complexes based on HINT.
@nl
type
label
Web application for studying t ...... igand complexes based on HINT.
@en
Web application for studying t ...... igand complexes based on HINT.
@nl
prefLabel
Web application for studying t ...... igand complexes based on HINT.
@en
Web application for studying t ...... igand complexes based on HINT.
@nl
P2093
P2860
P1476
Web application for studying t ...... igand complexes based on HINT.
@en
P2093
Alexander S Bayden
J Neel Scarsdale
Micaela Fornabaio
P2860
P2888
P304
P356
10.1007/S10822-009-9270-7
P577
2009-06-25T00:00:00Z
P5875
P6179
1048453343