Rafal P. Wiewiora

Rafal P. Wiewiora

Roivant Sciences - London / United Kingdom
Natural Sciences / Physics
AD Scientific Index ID: 4970664
person_outline Rafal P. Wiewiora's MOST POPULAR ARTICLES
1-) OpenMM 7: Rapid development of high performance algorithms for molecular dynamics P Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ... PLoS computational biology 13 (7), e1005659, 2017 12402017
2-) Posttranslational mutagenesis: A chemical strategy for exploring protein side-chain diversity TH Wright, BJ Bower, JM Chalker, GJL Bernardes, R Wiewiora, WL Ng, ... Science 354 (6312), aag1465, 2016 2282016
3-) SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ... Nature chemistry 13 (7), 651-659, 2021 171*2021
4-) Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systemsP Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ...Journal of chemical theory and computation 16 (8), 4757-4775, 20201752020
5-) What Markov state models can and cannot do: Correlation versus path-based observables in protein-folding modelsE Suárez, RP Wiewiora, C Wehmeyer, F Noé, JD Chodera, ...Journal of chemical theory and computation 17 (5), 3119-3133, 2021542021