Protein structure and dynamics in nonaqueous solvents: insights from molecular dynamics simulation studies.
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To Keep or Not to Keep? The Question of Crystallographic Waters for Enzyme Simulations in Organic Solvent.Effects of organic solvents and substrate binding on trypsin in acetonitrile and hexane media.Modeling structure and flexibility of Candida antarctica lipase B in organic solvents.Hydrogen/deuterium exchange study of subtilisin Carlsberg during prolonged exposure to organic solvents.Modeling of solvent-dependent conformational transitions in Burkholderia cepacia lipase.What can we learn by studying enzymes in non-aqueous media?Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: calculation of structural and dynamic properties.Switch of substrate specificity of hyperthermophilic acylaminoacyl peptidase by combination of protein and solvent engineering.A Monte-Carlo simulation of ionic conductivity and viscosity of highly concentrated electrolytes based on a pseudo-lattice model.Scorpion toxins prefer salt solutions.Solvent-induced lid opening in lipases: a molecular dynamics study.Water dependent properties of cutinase in nonaqueous solvents: a computational study of enantioselectivity.Lipase in aqueous-polar organic solvents: activity, structure, and stability.Lid opening and conformational stability of T1 Lipase is mediated by increasing chain length polar solvents.Eliminating hydrolytic activity without affecting the transglycosylation of a GH1 β-glucosidaseStructural determinants of ligand imprinting: a molecular dynamics simulation study of subtilisin in aqueous and apolar solvents.Interaction of organic solvents with protein structures at protein-solvent interface.Effects of water content on the tetrahedral intermediate of chymotrypsin - trifluoromethylketone in polar and non-polar media: observations from molecular dynamics simulation.A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies.A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.Comparative thermal unfolding study of psychrophilic and mesophilic subtilisin-like serine proteases by molecular dynamics simulations.The fate of proteins in outer space.
P2860
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P2860
Protein structure and dynamics in nonaqueous solvents: insights from molecular dynamics simulation studies.
description
2003 nî lūn-bûn
@nan
2003 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի մարտին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Protein structure and dynamics ...... r dynamics simulation studies.
@ast
Protein structure and dynamics ...... r dynamics simulation studies.
@en
type
label
Protein structure and dynamics ...... r dynamics simulation studies.
@ast
Protein structure and dynamics ...... r dynamics simulation studies.
@en
prefLabel
Protein structure and dynamics ...... r dynamics simulation studies.
@ast
Protein structure and dynamics ...... r dynamics simulation studies.
@en
P2093
P2860
P1433
P1476
Protein structure and dynamics ...... r dynamics simulation studies.
@en
P2093
António M Baptista
Cláudio M Soares
Vitor H Teixeira
P2860
P304
P356
10.1016/S0006-3495(03)74972-8
P407
P577
2003-03-01T00:00:00Z