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Brownian dynamics

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5 results in Keywords: Brownian dynamics

Theoretical and Computational Chemistry

Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach

Benjamin Jagger, Anupam Anand Ojha, Rommie Amaro

Version 1 posted 12 May 2020

588

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1

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Theoretical and Computational Chemistry

SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine

Lane Votapka, Andrew Stokely, Anupam Ojha, Rommie Amaro

Version 2 posted 26 April 2022

671

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Theoretical and Computational Chemistry

An introductory tutorial to the SEEKR2 (Simulation enabled estimation of kinetic rates v. 2) multiscale milestoning software [Article v1.0]

Anupam Ojha, Lane Votapka, Gary Huber, Shang Gao, Rommie Amaro

Version 1 posted 04 September 2023

352

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1

Citations

Theoretical and Computational Chemistry

Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach

Benjamin R. Jagger, Christoper T. Lee, Rommie Amaro

Version 1 posted 02 July 2018

642

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Microbubbles as Self-Propelling Motors

Palash Dhara, Niyati Shah, Arnab Maiti, Md Moinuddin, Kaustubh Rane, Krishna Kanti Dey

Version 1 posted 24 April 2023

330

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