Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide.
about
Energy landscape of a peptide consisting of alpha-helix, 3(10)-helix, beta-turn, beta-hairpin, and other disordered conformationsEnhanced conformational sampling to visualize a free-energy landscape of protein complex formationModeling of loops in protein structuresAb initio simulation of a 57-residue protein in explicit solvent reproduces the native conformation in the lowest free-energy cluster.Generalized-ensemble algorithms for molecular simulations of biopolymers.Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation.Free-energy landscape of a chameleon sequence in explicit water and its inherent alpha/beta bifacial propertyEnhanced and effective conformational sampling of protein molecular systems for their free energy landscapes.Enhancement of canonical sampling by virtual-state transitions.Virtual states introduced for overcoming entropic barriers in conformational space.Multi-dimensional virtual system introduced to enhance canonical sampling.Conformational sampling of metastable states: Tq-REM as a novel replica exchange method.Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking.A virtual-system coupled multicanonical molecular dynamics simulation: principles and applications to free-energy landscape of protein-protein interaction with an all-atom model in explicit solvent.Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella samplingHelix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulationsMultidimensional replica-exchange method for free-energy calculationsModeling Structures and Motions of Loops in Protein Molecules
P2860
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P2860
Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide.
description
1995 nî lūn-bûn
@nan
1995 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
1995 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
1995年の論文
@ja
1995年学术文章
@wuu
1995年学术文章
@zh-cn
1995年学术文章
@zh-hans
1995年学术文章
@zh-my
1995年学术文章
@zh-sg
1995年學術文章
@yue
name
Enhanced conformational sampli ...... tion to a constrained peptide.
@ast
Enhanced conformational sampli ...... tion to a constrained peptide.
@en
type
label
Enhanced conformational sampli ...... tion to a constrained peptide.
@ast
Enhanced conformational sampli ...... tion to a constrained peptide.
@en
prefLabel
Enhanced conformational sampli ...... tion to a constrained peptide.
@ast
Enhanced conformational sampli ...... tion to a constrained peptide.
@en
P2860
P356
P1476
Enhanced conformational sampli ...... tion to a constrained peptide.
@en
P2093
P2860
P304
P356
10.1073/PNAS.92.21.9886
P407
P577
1995-10-01T00:00:00Z