Automated site preparation in physics-based rescoring of receptor ligand complexes
about
Structure-based virtual screening for drug discovery: a problem-centric reviewComputational methods in drug discovery.Active site detection by spatial conformity and electrostatic analysis--unravelling a proteolytic function in shrimp alkaline phosphatase.A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric series.On the energy components governing molecular recognition in the framework of continuum approachesLife beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques.The role of protonation states in ligand-receptor recognition and binding.Protonation and pK changes in protein-ligand binding.
P2860
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P2860
Automated site preparation in physics-based rescoring of receptor ligand complexes
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
@pt
bilimsel makale
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scientific article published on October 2009
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Automated site preparation in physics-based rescoring of receptor ligand complexes
@en
Automated site preparation in physics-based rescoring of receptor ligand complexes.
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type
label
Automated site preparation in physics-based rescoring of receptor ligand complexes
@en
Automated site preparation in physics-based rescoring of receptor ligand complexes.
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prefLabel
Automated site preparation in physics-based rescoring of receptor ligand complexes
@en
Automated site preparation in physics-based rescoring of receptor ligand complexes.
@nl
P2093
P2860
P356
P1433
P1476
Automated site preparation in physics-based rescoring of receptor ligand complexes
@en
P2093
Chakrapani Kalyanaraman
Chaya S Rapp
Cheryl Schonbrun
P2860
P356
10.1002/PROT.22415
P407
P577
2009-10-01T00:00:00Z