about
Everything you wanted to know about Markov State Models but were afraid to askThe free energy landscape of small peptides as obtained from metadynamics with umbrella sampling correctionsRational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfacesImplicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force fieldMapping the intrinsically disordered properties of the flexible loop domain of Bcl-2: a molecular dynamics simulation study.Kinetics and thermodynamics of type VIII beta-turn formation: a CD, NMR, and microsecond explicit molecular dynamics study of the GDNP tetrapeptide.Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges.Secondary structure propensities in peptide folding simulations: a systematic comparison of molecular mechanics interaction schemes.Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains.Phylogeny of protein-folding trajectories reveals a unique pathway to native structure.Order through disorder: hyper-mobile C-terminal residues stabilize the folded state of a helical peptide. a molecular dynamics studySimulations of the pressure and temperature unfolding of an alpha-helical peptide.Enthalpy of helix-coil transition: missing link in rationalizing the thermodynamics of helix-forming propensities of the amino acid residuesEnergy landscape of amyloidogenic peptide oligomerization by parallel-tempering molecular dynamics simulation: significant role of Asn ladder.Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptidesAtomically detailed simulations of helix formation with the stochastic difference equationProbing the pH-dependent structural features of alpha-KTx12.1, a potassium channel blocker from the scorpion Tityus serrulatusFolding, misfolding, and amyloid protofibril formation of WW domain FBP28.Protein folding in a reverse micelle environment: the role of confinement and dehydrationCapturing transition paths and transition states for conformational rearrangements in the ribosome.Enhanced sampling techniques in molecular dynamics simulations of biological systems.Understanding ensemble protein folding at atomic detailNature of structural inhomogeneities on folding a helix and their influence on spectral measurements.High performance computing in biology: multimillion atom simulations of nanoscale systemsMolecular dynamics simulations of glycoproteins using CHARMM.Identification of minimally interacting modules in an intrinsically disordered protein.Statistical prediction and molecular dynamics simulationBiomolecular dynamics: order-disorder transitions and energy landscapesRepeat-protein folding: new insights into origins of cooperativity, stability, and topology.Principal component analysis for protein folding dynamicsFolding of Trp-cage mini protein using temperature and biasing potential replica-exchange molecular dynamics simulationsDeducing conformational variability of intrinsically disordered proteins from infrared spectroscopy with Bayesian statistics.Replica exchange with nonequilibrium switches.Switch from thermal to force-driven pathways of protein refolding.Molecular simulation of protein-surface interactions: benefits, problems, solutions, and future directions.Equilibrium structure and folding of a helix-forming peptide: circular dichroism measurements and replica-exchange molecular dynamics simulations.Folding thermodynamics of peptides.An effective all-atom potential for proteinsSecondary structure, mechanical stability, and location of transition state of proteins
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի ապրիլին 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
Peptide folding simulations.
@ast
Peptide folding simulations.
@en
type
label
Peptide folding simulations.
@ast
Peptide folding simulations.
@en
prefLabel
Peptide folding simulations.
@ast
Peptide folding simulations.
@en
P2093
P1476
Peptide folding simulations.
@en
P2093
Angel E García
Hugh Nymeyer
John Portman
Kevin Y Sanbonmatsu
S Gnanakaran
P304
P356
10.1016/S0959-440X(03)00040-X
P577
2003-04-01T00:00:00Z