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The Journal of Chemical Physics|November 10, 2019
Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski pictureJeremy Copperman, David Aristoff, Dmitrii E Makarov, et al.Proceedings of the National Academy of Sciences of the United States of America|May 6, 2026
Randomized iterative trajectory reweighting for steady-state distributions without discretization errorSagar Kania, Robert J Webber, Gideon Simpson, et al.Journal of Chemical Theory and Computation|July 12, 2016
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelKarl T Debiec, David S Cerutti, Lewis R Baker, et al.The Journal of Physical Chemistry. B|July 15, 2009
General library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein modelsArtem B Mamonov, Divesh Bhatt, Derek J Cashman, et al.Communications Biology|May 4, 2023
Morphodynamical cell state description via live-cell imaging trajectory embeddingJeremy Copperman, Sean M Gross, Young Hwan Chang, et al.Proteins|June 11, 2015
Structural integrity of the ribonuclease H domain in HIV-1 reverse transcriptaseRyan L Slack, Justin Spiriti, Jinwoo Ahn, et al.Plos Computational Biology|July 3, 2020
A kinetic mechanism for enhanced selectivity of membrane transportPaola Bisignano, Michael A Lee, August George, et al.Journal of the American Chemical Society|March 21, 2019
Computational Estimation of Microsecond to Second Atomistic Folding TimesUpendra Adhikari, Barmak Mostofian, Jeremy Copperman, et al.Journal of Chemical Theory and Computation|April 27, 2021
What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding ModelsErnesto Suárez, Rafal P Wiewiora, Chris Wehmeyer, et al.Protein Science : a Publication of the Protein Society|October 28, 2024
Gating residues govern ligand unbinding kinetics from the buried cavity in HIF-2α PAS-BMarion L Silvestrini, Riccardo Solazzo, Soumendu Boral, et al.Pageof 15