| CHARMM36m: an improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL De Groot, ... Nature methods 14 (1), 71-73, 2017 | 6912 | 2017 |
| Crowding in cellular environments at an atomistic level from computer simulations M Feig, I Yu, P Wang, G Nawrocki, Y Sugita The Journal of Physical Chemistry B 121 (34), 8009-8025, 2017 | 197 | 2017 |
| Slow-down in diffusion in crowded protein solutions correlates with transient cluster formation G Nawrocki, P Wang, I Yu, Y Sugita, M Feig The Journal of Physical Chemistry B 121 (49), 11072-11084, 2017 | 126 | 2017 |
| Grubmü ller H, MacKerell AD. 2017. CHARMM36m: an improved force field for folded and intrinsically disordered proteins J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL De Groot Nature Methods 14 (1), 71-73, 0 | 83 | |
| Clustering and dynamics of crowded proteins near membranes and their influence on membrane bending G Nawrocki, W Im, Y Sugita, M Feig Proceedings of the National Academy of Sciences 116 (49), 24562-24567, 2019 | 64 | 2019 |
| Charge-driven condensation of RNA and proteins suggests broad role of phase separation in cytoplasmic environments B Dutagaci, G Nawrocki, J Goodluck, AA Ashkarran, CG Hoogstraten, ... Elife 10, e64004, 2021 | 60 | 2021 |
| Amino acids and proteins at ZnO–water interfaces in molecular dynamics simulations G Nawrocki, M Cieplak Physical Chemistry Chemical Physics 15 (32), 13628-13636, 2013 | 60 | 2013 |
| Effect of protein–protein interactions and solvent viscosity on the rotational diffusion of proteins in crowded environments G Nawrocki, A Karaboga, Y Sugita, M Feig Physical Chemistry Chemical Physics 21 (2), 876-883, 2019 | 54 | 2019 |
| Aqueous amino acids and proteins near the surface of gold in hydrophilic and hydrophobic force fields G Nawrocki, M Cieplak The Journal of Physical Chemistry C 118 (24), 12929-12943, 2014 | 49 | 2014 |
| Accurate determination of solvation free energies of neutral organic compounds from first principles L Pereyaslavets, G Kamath, O Butin, A Illarionov, M Olevanov, I Kurnikov, ... Nature communications 13 (1), 414, 2022 | 44 | 2022 |
| Challenges and opportunities in connecting simulations with experiments via molecular dynamics of cellular environments M Feig, G Nawrocki, I Yu, P Wang, Y Sugita Journal of Physics: Conference Series 1036 (1), 012010, 2018 | 38 | 2018 |
| Reduced efficacy of a Src kinase inhibitor in crowded protein solution K Kasahara, S Re, G Nawrocki, H Oshima, C Mishima-Tsumagari, ... Nature communications 12 (1), 4099, 2021 | 31 | 2021 |
| Structural aspects of the antioxidant activity of lutein in a model of photoreceptor membranes A Wisniewska-Becker, G Nawrocki, M Duda, W Subczynski Acta Biochimica Polonica 59 (1), 119-124, 2012 | 29 | 2012 |
| Combining force fields and neural networks for an accurate representation of chemically diverse molecular interactions A Illarionov, S Sakipov, L Pereyaslavets, IV Kurnikov, G Kamath, O Butin, ... Journal of the American Chemical Society 145 (43), 23620-23629, 2023 | 28 | 2023 |
| Interactions of aqueous amino acids and proteins with the (110) surface of ZnS in molecular dynamics simulations G Nawrocki, M Cieplak The Journal of Chemical Physics 140 (9), 2014 | 20 | 2014 |
| Intramolecular diffusion in α-synuclein: It depends on how you measure it J Woodard, KR Srivastava, G Rahamim, A Grupi, S Hogan, DJ Witalka, ... Biophysical journal 115 (7), 1190-1199, 2018 | 18 | 2018 |
| Peptide recognition capabilities of cellulose in molecular dynamics simulations G Nawrocki, PA Cazade, D Thompson, M Cieplak The Journal of Physical Chemistry C 119 (43), 24404-24416, 2015 | 17 | 2015 |
| Protein–Ligand Binding Free-Energy Calculations with ARROW─ A Purely First-Principles Parameterized Polarizable Force Field G Nawrocki, I Leontyev, S Sakipov, M Darkhovskiy, I Kurnikov, ... Journal of Chemical Theory and Computation 18 (12), 7751-7763, 2022 | 16 | 2022 |
| Molecular dynamics simulations of rhodamine B zwitterion diffusion in polyelectrolyte solutions PK Walhout, Z He, B Dutagaci, G Nawrocki, M Feig The Journal of Physical Chemistry B 126 (48), 10256-10272, 2022 | 12 | 2022 |
| Neural network corrections to intermolecular interaction terms of a molecular force field capture nuclear quantum effects in calculations of liquid thermodynamic properties IV Kurnikov, L Pereyaslavets, G Kamath, SN Sakipov, E Voronina, O Butin, ... Journal of chemical theory and computation 20 (3), 1347-1357, 2024 | 10 | 2024 |