Transition path sampling: throwing ropes over rough mountain passes, in the dark.
about
Understanding the nature of "superhard graphite"Taming the complexity of protein foldingCHARMM: the biomolecular simulation programProtein folding: then and nowPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsExtended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A ReviewRelating sequence encoded information to form and function of intrinsically disordered proteinsPolymer uncrossing and knotting in protein folding, and their role in minimal folding pathwaysExploring the conformational transitions of biomolecular systems using a simple two-state anisotropic network modelMinimum free energy path of ligand-induced transition in adenylate kinaseThe energy landscape, folding pathways and the kinetics of a knotted proteinToolbox for analyzing finite two-state trajectoriesThe Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation AnalysisUnfavorable Electrostatic and Steric Interactions in DNA Polymerase β E295K Mutant Interfere with the Enzyme’s PathwayEnzymatic transition states, transition-state analogs, dynamics, thermodynamics, and lifetimesMolecular dynamics and protein function.A growing string method for determining transition states: comparison to the nudged elastic band and string methodsEnergetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesteraseA Structural Model of the Human α7 Nicotinic Receptor in an Open ConformationPath Similarity Analysis: A Method for Quantifying Macromolecular PathwaysUsing Markov state models to study self-assemblyEmergent ultra-long-range interactions between active particles in hybrid active-inactive systemsCalculation of mutational free energy changes in transition states for protein folding.Phycocyanobilin in solution--a solvent triggered molecular switch.Probing the mechanism of pH-induced large-scale conformational changes in dengue virus envelope protein using atomistic simulations.Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures.Correct and incorrect nucleotide incorporation pathways in DNA polymerase betaCoarse-grained free energy functions for studying protein conformational changes: a double-well network model.A two-step nucleotide-flipping mechanism enables kinetic discrimination of DNA lesions by AGTAtomic detail of chemical transformation at the transition state of an enzymatic reaction.Segmented transition pathway of the signaling protein nitrogen regulatory protein CEnzymatic transition states and dynamic motion in barrier crossing.Systematic determination of order parameters for chain dynamics using diffusion maps.Enhanced modeling via network theory: Adaptive sampling of Markov state models.Modeling protein conformational transitions by a combination of coarse-grained normal mode analysis and robotics-inspired methods.Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions.Computational delineation of tyrosyl-substrate recognition and catalytic landscapes by the epidermal growth factor receptor tyrosine kinase domain.Enzyme homologues have distinct reaction paths through their transition states.Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive TrajectoriesSampling the multiple folding mechanisms of Trp-cage in explicit solvent
P2860
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P2860
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
description
2001 nî lūn-bûn
@nan
2001 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@ast
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@en
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@nl
type
label
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@ast
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@en
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@nl
prefLabel
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@ast
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@en
Transition path sampling: throwing ropes over rough mountain passes, in the dark.
@nl
P2093
P1476
Transition path sampling: throwing ropes over rough mountain passes, in the dark
@en
P2093
David Chandler
Peter G Bolhuis
Phillip L Geissler
P304
P356
10.1146/ANNUREV.PHYSCHEM.53.082301.113146
P577
2001-10-04T00:00:00Z