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Keyword

transition path sampling

Description: Transition path sampling is a computational method for studying rare transitions between states by generating and analyzing ensembles of reactive trajectories.
Wikidata ID: wiki/Q7834429
OpenAlex ID: keywords/transition-path-sampling
Understanding Molecular Simulation: From Algorithms to Applications
2001 · Daan Frenkel, Berend Smit · 6,282
Understanding Molecular Simulation: From Algorithms to Applications
1997 · Mark A. Ratner · Physics Today · 5,060
T RANSITION P ATH S AMPLING : Throwing Ropes Over Rough Mountain Passes, in the Dark
2002 · Peter G. Bolhuis, David Chandler, et al. · Annual Review of Physical Chemistry · 1,971
Transition path sampling and the calculation of rate constants
1998 · Christoph Dellago, Peter G. Bolhuis, et al. · The Journal of Chemical Physics · 1,062
A novel path sampling method for the calculation of rate constants
2003 · Titus S. van Erp, Daniele Moroni, et al. · The Journal of Chemical Physics · 548
An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
2013 · Gregory R. Bowman, Vijay S. Pande, et al. · Advances in experimental medicine and biology · 509
Transition Path Sampling
2002 · Christoph Dellago, Peter G. Bolhuis, et al. · Advances in chemical physics · 488
Reaction coordinates of biomolecular isomerization
2000 · Peter G. Bolhuis, Christoph Dellago, et al. · Proceedings of the National Academy of Sciences · 423
From transition paths to transition states and rate coefficients
2003 · Gerhard Hummer · The Journal of Chemical Physics · 416
Obtaining reaction coordinates by likelihood maximization
2006 · Baron Peters, Bernhardt L. Trout · The Journal of Chemical Physics · 415
Simulating rare events in equilibrium or nonequilibrium stochastic systems
2006 · Rosalind J. Allen, Daan Frenkel, et al. · The Journal of Chemical Physics · 400
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Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements
1998 · Christoph Dellago, Peter G. Bolhuis, et al. · The Journal of Chemical Physics · 363
Kinetic Pathways of Ion Pair Dissociation in Water
1999 · Phillip L. Geissler, Christoph Dellago, et al. · The Journal of Physical Chemistry B · 349
Elaborating transition interface sampling methods
2004 · Titus S. van Erp, Peter G. Bolhuis · Journal of Computational Physics · 311
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Sampling ensembles of deterministic transition pathways
1998 · Peter G. Bolhuis, Christoph Dellago, et al. · Faraday Discussions · 304
Drying-induced hydrophobic polymer collapse
2002 · Pieter Rein ten Wolde, David Chandler · Proceedings of the National Academy of Sciences · 286
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Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
2006 · J. Juraszek, P. G. Bolhuis · Proceedings of the National Academy of Sciences · 241
Transition-path sampling of β-hairpin folding
2003 · Peter G. Bolhuis · Proceedings of the National Academy of Sciences · 215
Illustration of transition path theory on a collection of simple examples
2006 · Philipp Metzner, Christof Schütte, et al. · The Journal of Chemical Physics · 206
The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies
2013 · Brandon C. Knott, Majid Haddad Momeni, et al. · Journal of the American Chemical Society · 192
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Transition Path Sampling
2005 · Christoph Dellago · Springer eBooks · 163
Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events
2009 · Christoph Dellago, Peter G. Bolhuis · Springer eBooks · 155
How Enzyme Dynamics Helps Catalyze a Reaction in Atomic Detail: A Transition Path Sampling Study
2005 · Jodi E. Basner, Steven D. Schwartz · Journal of the American Chemical Society · 151
Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase β's closing
2004 · Ravi Radhakrishnan, Tamar Schlick · Proceedings of the National Academy of Sciences · 146
Reaction Rate Theory and Rare Events
2017 · Baron Peters · 144
Works count: 624
Citation count: 30,830
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