Solution Structure of NaNO3 in Water: Diffraction and Molecular Dynamics Simulation Study T Megyes, S Bálint, E Peter, T Grósz, I Bakó, H Krienke, ... The Journal of Physical Chemistry B 113 (13), 4054-4064, 2009 | 91 | 2009 |
Mechanism of signal transduction of the LOV2-Jα photosensor from Avena sativa E Peter, B Dick, SA Baeurle Nature communications 1 (1), 122, 2010 | 83 | 2010 |
pydca v1. 0: a comprehensive software for direct coupling analysis of RNA and protein sequences MB Zerihun, F Pucci, EK Peter, A Schug Bioinformatics 36 (7), 2264-2265, 2020 | 46 | 2020 |
A polarizable coarse-grained protein model for dissipative particle dynamics EK Peter, K Lykov, IV Pivkin Physical Chemistry Chemical Physics 17 (37), 24452-24461, 2015 | 41 | 2015 |
A polarizable coarse-grained water model for dissipative particle dynamics EK Peter, IV Pivkin The Journal of chemical physics 141 (16), 2014 | 38 | 2014 |
A hybrid MD-kMC algorithm for folding proteins in explicit solvent EK Peter, JE Shea Physical Chemistry Chemical Physics 16 (14), 6430-6440, 2014 | 30 | 2014 |
The inhibitory effect of a Corona virus spike protein fragment with ACE2 EK Peter, A Schug Biophys. J., 10.1016/j.bpj.2020.08.022, 2020 | 29 | 2020 |
Evaluating DCA-based method performances for RNA contact prediction by a well-curated data set F Pucci, MB Zerihun, EK Peter, A Schug RNA 26 (7), 794-802, 2020 | 27 | 2020 |
Illuminating the early signaling pathway of a fungal light‐oxygen‐voltage photoreceptor E Peter, B Dick, SA Baeurle Proteins: Structure, Function, and Bioinformatics 80 (2), 471-481, 2012 | 24 | 2012 |
Signals of LOV1: a computer simulation study on the wildtype LOV1-domain of Chlamydomonas reinhardtii and its mutants E Peter, B Dick, SA Baeurle Journal of molecular modeling 18, 1375-1388, 2012 | 17 | 2012 |
A novel computer simulation method for simulating the multiscale transduction dynamics of signal proteins E Peter, B Dick, SA Baeurle The Journal of chemical physics 136 (12), 2012 | 15 | 2012 |
How water layers on graphene affect folding and adsorption of TrpZip2 EK Peter, M Agarwal, BK Kim, IV Pivkin, JE Shea The Journal of chemical physics 141 (22), 2014 | 14 | 2014 |
A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides EK Peter, IV Pivkin, JE Shea The Journal of chemical physics 142 (14), 2015 | 13 | 2015 |
Exploring the multiscale signaling behavior of phototropin1 from Chlamydomonas reinhardtii using a full‐residue space kinetic Monte Carlo molecular dynamics technique E Peter, B Dick, I Stambolic, SA Baeurle Proteins: Structure, Function, and Bioinformatics 82 (9), 2018-2040, 2014 | 12 | 2014 |
Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent EK Peter, JE Shea, IV Pivkin Physical Chemistry Chemical Physics 18 (18), 13052-13065, 2016 | 11 | 2016 |
Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation EK Peter Journal of Chemical Physics 147, 214902, 2017 | 10 | 2017 |
CORE-MD, a path correlated molecular dynamics simulation method EK Peter, JE Shea, A Schug J. Chem. Phys. 153, 084114, 2020 | 8 | 2020 |
Effect of computational methodology on the conformational dynamics of the protein photosensor LOV1 from Chlamydomonas reinhardtii E Peter, B Dick, SA Baeurle Journal of chemical biology 4, 167-184, 2011 | 8 | 2011 |
An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation. EK Peter, JE Shea Physical Chemistry Chemical Physics 19, 17373-17382, 2017 | 7 | 2017 |
Regulatory mechanism of the light‐activable allosteric switch LOV–TAP for the control of DNA binding: A computer simulation study E Peter, B Dick, SA Baeurle Proteins: Structure, Function, and Bioinformatics 81 (3), 394-405, 2013 | 7 | 2013 |