Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
about
Current status and future prospects for enabling chemistry technology in the drug discovery processTesting inhomogeneous solvation theory in structure-based ligand discovery.Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Studies on electrostatic interactions within model nano-confined aqueous environments of different chemical nature.Solvent effects on ligand binding to a serine protease.AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking.
P2860
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P2860
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
@en
type
label
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
@en
prefLabel
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
@en
P2093
P2860
P356
P1476
Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.
@en
P2093
Crystal Nguyen
Michael K Gilson
Romelia Salomon-Ferrer
Ross C Walker
Steven Ramsey
Tom Kurtzman
P2860
P304
P356
10.1002/JCC.24417
P577
2016-06-18T00:00:00Z