Publications by authors named "Brajesh Narayan"

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Comparison of Accuracy and Efficiency of Milestoning Variants: Introducing Buffer Milestoning.
Brajesh Narayan, Ron Elber

J Phys Chem B· February 2024

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Classification of GTP-dependent K-Ras4B active and inactive conformational states.
Brajesh Narayan, Christina Kiel, Nicolae-Viorel Buchete

J Chem Phys· March 2023

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Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β.
Samith Rathnayake, Brajesh Narayan, Ron Elber, Chung F Wong

Proteins· February 2023

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Computer Simulations of the Dissociation Mechanism of Gleevec from Abl Kinase with Milestoning.
Brajesh Narayan, Nicolae-Viorel Buchete, Ron Elber

J Phys Chem B· June 2021

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Replica Exchange Molecular Dynamics of Diphenylalanine Amyloid Peptides in Electric Fields.
Brajesh Narayan, Colm Herbert, Brian J Rodriguez, Bernard R Brooks, Nicolae-Viorel Buchete

J Phys Chem B· May 2021

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Long-time methods for molecular dynamics simulations: Markov State Models and Milestoning.
Brajesh Narayan, Ye Yuan, Arman Fathizadeh, Ron Elber, Nicolae-Viorel Buchete

Prog Mol Biol Transl Sci· January 2021

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The transition between active and inactive conformations of Abl kinase studied by rock climbing and Milestoning.
Brajesh Narayan, Arman Fathizadeh, Clark Templeton, Peng He, Shima Arasteh

Biochim Biophys Acta Gen Subj· April 2020

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Conformational analysis of replica exchange MD: Temperature-dependent Markov networks for FF amyloid peptides.
Brajesh Narayan, Colm Herbert, Ye Yuan, Brian J Rodriguez, Bernard R Brooks

J Chem Phys· August 2018

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