Theory and algorithms for mixed Monte Carlo-stochastic dynamics simulations

Journal of Mathematical Chemistry ◽

10.1007/bf01166601 ◽

1995 ◽

Vol 18 (1) ◽

pp. 25-35 ◽

Author(s):

Frank Guarnieri

Keyword(s):

Monte Carlo ◽

Stochastic Dynamics ◽

Dynamics Simulations

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Conformational analysis and dynamics of mannobiosides and mannotriosides using Monte Carlo/stochastic dynamics simulations

Carbohydrate Research ◽

10.1016/j.carres.2003.11.013 ◽

2004 ◽

Vol 339 (5) ◽

pp. 967-973 ◽

Author(s):

Anna Bernardi ◽

Andrea Colombo ◽

Inmaculada Sánchez-Medina

Keyword(s):

Monte Carlo ◽

Conformational Analysis ◽

Stochastic Dynamics ◽

Dynamics Simulations

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A Refined Model of the Thyrotropin-Releasing Hormone (TRH) Receptor Binding Pocket. Novel Mixed Mode Monte Carlo/Stochastic Dynamics Simulations of the Complex between TRH and TRH Receptor†

Biochemistry ◽

10.1021/bi952203j ◽

1996 ◽

Vol 35 (24) ◽

pp. 7651-7663 ◽

Author(s):

Liisa J. Laakkonen ◽

Frank Guarnieri ◽

Jeffrey H. Perlman ◽

Marvin C. Gershengorn ◽

Roman Osman

Keyword(s):

Monte Carlo ◽

Receptor Binding ◽

Stochastic Dynamics ◽

Binding Pocket ◽

Thyrotropin Releasing Hormone ◽

Refined Model ◽

Releasing Hormone ◽

Dynamics Simulations ◽

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Conformational analysis of saccharides with Monte Carlo/stochastic dynamics simulations

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04542-3 ◽

1997 ◽

Vol 395-396 ◽

pp. 361-373 ◽

Author(s):

Anna Bernardi ◽

Laura Raimondi ◽

Domenico Zanferrari

Keyword(s):

Monte Carlo ◽

Conformational Analysis ◽

Stochastic Dynamics ◽

Dynamics Simulations

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Conformations of 1,2-Dimethoxyethane in Gas and Solution Phase from Molecular Mechanics and Monte Carlo/Stochastic Dynamics Simulations

The Journal of Physical Chemistry ◽

10.1021/jp952581y ◽

1996 ◽

Vol 100 (20) ◽

pp. 8224-8229 ◽

Author(s):

D. Jeremy Williams ◽

Kathleen B. Hall

Keyword(s):

Monte Carlo ◽

Molecular Mechanics ◽

Stochastic Dynamics ◽

Solution Phase ◽

Dynamics Simulations

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New Monte Carlo simulations of many-particle stochastic dynamics: Growth of correlations and local self-ordering during annihilation of like particles

Chemical Physics ◽

10.1016/0301-0104(91)80112-u ◽

1991 ◽

Vol 155 (3) ◽

pp. 357-368 ◽

Author(s):

Ross Brown ◽

Nikolai A. Efremov

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

Stochastic Dynamics

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Corrigendum to “Monte Carlo and molecular dynamics simulations of screw dislocation locking by Cottrell atmospheres in low carbon Fe–C alloys” [Scripta Materialia 108 (2015) 19–22]

Scripta Materialia ◽

10.1016/j.scriptamat.2016.07.026 ◽

2016 ◽

Vol 124 ◽

pp. 198

Author(s):

R.G.A. Veiga ◽

H. Goldenstein ◽

M. Perez ◽

C.S. Becquart

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Screw Dislocation ◽

Dynamics Simulations ◽

Cottrell Atmospheres

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Monte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr)

Molecular Simulation ◽

10.1080/08927022.2021.1991579 ◽

2021 ◽

pp. 1-10

Author(s):

Merve Ayvaz Koroglu ◽

Ozge Kurkcuoglu ◽

Fethiye Aylin Sungur

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Controlled Release ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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A Study of Permeation of n-Butane through ZSM-5 Membrane by Using Monte Carlo and Equilibrium/Non-Equilibrium Molecular Dynamics Simulations.

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.36.313 ◽

2003 ◽

Vol 36 (3) ◽

pp. 313-321 ◽

Author(s):

Shin-ichi Furukawa ◽

Tomoshige Nitta

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Non Equilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Non Equilibrium

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On combining molecular dynamics and stochastic dynamics simulations to compute reaction rates in liquids

The Journal of Chemical Physics ◽

10.1063/1.1631255 ◽

2004 ◽

Vol 120 (2) ◽

pp. 898-902 ◽

Author(s):

Yin Guo ◽

Donald L. Thompson

Keyword(s):

Molecular Dynamics ◽

Stochastic Dynamics ◽

Reaction Rates ◽

Dynamics Simulations

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Pb/Cu (100) surface superstructures: Monte Carlo and molecular dynamics simulations

Surface Science ◽

10.1016/s0039-6028(97)00540-2 ◽

1997 ◽

Vol 392 (1-3) ◽

pp. 163-172 ◽

Author(s):

S. Tan ◽

A. Ghazali ◽

J.C.S. Le´vy

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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