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Grzegorz Nawrocki
Grzegorz Nawrocki
InterX, Inc.
Verified email at interxinc.com
Title
Cited by
Cited by
Year
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
41502017
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
1592017
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
1072017
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
60
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
512013
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
492019
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
472019
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
452014
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
382021
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
262018
Structural aspects of the antioxidant activity of lutein in a model of photoreceptor membranes
A Wisniewska-Becker, G Nawrocki, M Duda, WK Subczynski
Acta Biochimica Polonica 59 (1), 119, 2012
262012
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
232021
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
192022
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
172014
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
152015
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
112018
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
62022
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
52023
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
42022
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, 2024
2024
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