Finite temperature string method for the study of rare events.
about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsCHARMM: the biomolecular simulation programPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsEnzyme Selectivity of HIV Reverse Transcriptase: Conformations, Ligands, and Free Energy PartitionMinimum free energy path of ligand-induced transition in adenylate kinasePath Similarity Analysis: A Method for Quantifying Macromolecular PathwaysGeneralized Ensemble Sampling of Enzyme Reaction Free Energy PathwaysCoarse-grained free energy functions for studying protein conformational changes: a double-well network model.Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations.Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme.Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials.Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.On the Origin of the Chemical Barrier and Tunneling in Enzymes.Calcium inhibition of ribonuclease H1 two-metal ion catalysisSlow conformational motions that favor sub-picosecond motions important for catalysis.Dynamic pathways for viral capsid assemblyFree energy of conformational transition paths in biomolecules: the string method and its application to myosin VI.Entropic effect on the rate of dislocation nucleation.Conformational dynamics of a ligand-free adenylate kinase.Role of the active site guanine in the glmS ribozyme self-cleavage mechanism: quantum mechanical/molecular mechanical free energy simulationsModeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method.Multiple replica repulsion technique for efficient conformational sampling of biological systems.Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation."DFG-flip" in the insulin receptor kinase is facilitated by a helical intermediate state of the activation loop.Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain.Energetics and mechanism of the normal-to-amyloidogenic isomerization of β2-microglobulin: on-the-fly string method calculationsMapping L1 ligase ribozyme conformational switch.Intermediate state trapping of a voltage sensorPredicting the folding pathway of engrailed homeodomain with a probabilistic roadmap enhanced reaction-path algorithmSimulating rare events using a weighted ensemble-based string method.Comparison of Three Chain-of-States Methods: Nudged Elastic Band and Replica Path with Restraints or Constraints.Building Markov state models along pathways to determine free energies and rates of transitionsToward Determining ATPase Mechanism in ABC Transporters: Development of the Reaction Path-Force Matching QM/MM Method.The stochastic separatrix and the reaction coordinate for complex systems.Hidden Conformation Events in DNA Base Extrusions: A Generalized Ensemble Path Optimization and Equilibrium Simulation Study.Analyzing milestoning networks for molecular kinetics: definitions, algorithms, and examples.Finding transition pathways using the string method with swarms of trajectories.Exploration of effective potential landscapes using coarse reverse integration.Simple, yet powerful methodologies for conformational sampling of proteins.
P2860
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P2860
Finite temperature string method for the study of rare events.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Finite temperature string method for the study of rare events.
@en
Finite temperature string method for the study of rare events.
@nl
type
label
Finite temperature string method for the study of rare events.
@en
Finite temperature string method for the study of rare events.
@nl
prefLabel
Finite temperature string method for the study of rare events.
@en
Finite temperature string method for the study of rare events.
@nl
P356
P1476
Finite temperature string method for the study of rare events.
@en
P2093
Eric Vanden-Eijnden
Weiqing Ren
P304
P356
10.1021/JP0455430
P407
P50
P577
2005-04-01T00:00:00Z