Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes.
about
Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysinMethyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsRational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity.Molecular recognition in chemical and biological systems.Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo.Effects of the Hofmeister series of sodium salts on the solvent properties of water.A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between hydrogen-bonding and cation-molecule interactions and thermodynamic property in the 1: 2 (Na⁺: N-(Hydroxymethyl)acetamide) ternary complex.
P2860
Q27683691-48A05EF6-0FFA-4BE8-8479-A676849F8BD1Q27689469-EEE0D421-35A7-4F82-A29B-7A59749AE7C3Q36129211-089C730E-0F3C-4C8D-8B2D-2E37A52B152BQ38335784-83518DA3-9D04-476D-BF6B-0C5D3892D659Q47149307-FEEF461E-B3BE-4586-A9BB-53773A6377F2Q48286266-AB4572F5-7D60-4325-AC12-00FF876D25FEQ51109251-0FCF48D0-26EC-4D2E-BFC0-3746C24AD0D3
P2860
Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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name
Water mediated ligand function ...... ligand-thermolysin complexes.
@ast
Water mediated ligand function ...... ligand-thermolysin complexes.
@en
type
label
Water mediated ligand function ...... ligand-thermolysin complexes.
@ast
Water mediated ligand function ...... ligand-thermolysin complexes.
@en
prefLabel
Water mediated ligand function ...... ligand-thermolysin complexes.
@ast
Water mediated ligand function ...... ligand-thermolysin complexes.
@en
P2093
P2860
P356
P1476
Water mediated ligand function ...... ligand-thermolysin complexes.
@en
P2093
David Hangauer
Hongwei Tan
Nader N Nasief
P2860
P304
P356
10.1021/JM300472K
P407
P577
2012-09-19T00:00:00Z