Publications

Selective Publications

See Google Scholar for the full list of publications.

2025

– JCTC Special issue on “Markov State Modeling of Conformational Dynamics” 

– ACS Biochemistry special issue on “Computational Biochemistry” 

2024

– JCTC Special issue on “Markov State Modeling of Conformational Dynamics” 

JCP Cover Article & JCP Featured Article 

– JPC virtual special issue “Gregory A. Voth Festschrift”.

2023

– JCP Featured Article

– JCP special issue on “Machine Learning Hits Molecular Simulations”

– Cover article

– JCTC special issue on “Machine Learning for Molecular Simulation”

– JCP special issue on “New Views of Allostery”

– JCC special issue on “Remembering Sihyun Ham and Protein Computational Science”

2022

– JPC special issue on “Biomolecular Electrostatic Phenomena”

– Special issue on “Artificial Intelligence in Computational Materials Science” & Cover article

Selected as 2022 PCCP HOT article

2021

2020

2019

         – Recommended by Faculty of 1000

           -Highlighted by Natue Middle East

2018

2017

2016

          – Highlighted as Inside Front Cover.
          -Highlighted as Inside Back Cover.
          -Highlighted as Inside Front Cover.

2015

2014

          A movie for RNA polymerase II translocation: here; 3D version: here.

2013

           -Highlighted by ACS Select

2012

2011

2010

2003-2009