Molecular dynamics studies of a DNA-binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressor.
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Environment-dependent long-range structural distortion in a temperature-sensitive point mutantMolecular dynamics analysis of a second phosphate site in the hemoglobins of the seabird, south polar skua. Is there a site-site migratory mechanism along the central cavity?Structural studies by 1H NMR and molecular modeling of peptide substrates of thermolysin in relation with its proteasic activity in water and glycerol.Novel human mPGES-1 inhibitors identified through structure-based virtual screening.Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization.Cooperative folding units of escherichia coli tryptophan repressor.Evaluation of elastic properties of atomistic DNA models.Molecular modeling of a T-cell receptor bound to a major histocompatibility complex molecule: implications for T-cell recognition.Force field influences in beta-hairpin folding simulationsMolecular dynamics: survey of methods for simulating the activity of proteins.Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.Homology modelling and 1H NMR studies of human leukaemia inhibitory factor.Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esteraseComputational determination of binding structures and free energies of phosphodiesterase-2 with benzo[1,4]diazepin-2-one derivatives.Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesisOn the truncation of long-range electrostatic interactions in DNA.Molecular and biological constraints on ligand-binding affinity and specificity.Molecular dynamics studies of a DNA-binding protein: 1. A comparison of the trp repressor and trp aporepressor aqueous simulations.From the Arctic to fetal life: physiological importance and structural basis of an 'additional' chloride-binding site in haemoglobin.Demonstration that 1-trans-epoxysuccinyl-L-leucylamido-(4-guanidino) butane (E-64) is one of the most effective low Mr inhibitors of trypsin-catalysed hydrolysis. Characterization by kinetic analysis and by energy minimization and molecular dynamicsKinetics of the coil-to-helix transition on a rough energy landscape.Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water.Study of the electrostatics treatment in molecular dynamics simulations.
P2860
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P2860
Molecular dynamics studies of a DNA-binding protein: 2. An evaluation of implicit and explicit solvent models for the molecular dynamics simulation of the Escherichia coli trp repressor.
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1992 nî lūn-bûn
@nan
1992年の論文
@ja
1992年学术文章
@wuu
1992年学术文章
@zh-cn
1992年学术文章
@zh-hans
1992年学术文章
@zh-my
1992年学术文章
@zh-sg
1992年學術文章
@yue
1992年學術文章
@zh
1992年學術文章
@zh-hant
name
Molecular dynamics studies of ...... scherichia coli trp repressor.
@ast
Molecular dynamics studies of ...... scherichia coli trp repressor.
@en
type
label
Molecular dynamics studies of ...... scherichia coli trp repressor.
@ast
Molecular dynamics studies of ...... scherichia coli trp repressor.
@en
prefLabel
Molecular dynamics studies of ...... scherichia coli trp repressor.
@ast
Molecular dynamics studies of ...... scherichia coli trp repressor.
@en
P2860
P356
P1433
P1476
Molecular dynamics studies of ...... scherichia coli trp repressor.
@en
P2093
P2860
P304
P356
10.1002/PRO.5560010912
P577
1992-09-01T00:00:00Z