| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 290 | 2019 |
| Ligand diffusion in proteins via enhanced sampling in molecular dynamics J Rydzewski, W Nowak Physics of Life Reviews 22, 58-74, 2017 | 42 | 2017 |
| Machine learning based dimensionality reduction facilitates ligand diffusion paths assessment: a case of cytochrome P450cam J Rydzewski, W Nowak Journal of Chemical Theory and Computation 12, 2110 − 2120, 2016 | 25 | 2016 |
| Memetic algorithms for ligand expulsion from protein cavities J Rydzewski, W Nowak The Journal of chemical physics 143 (12), 124101, 2015 | 24 | 2015 |
| Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways J Rydzewski, R Jakubowski, W Nowak, H Grubmuller Journal of Chemical Theory and Computation 14 (6), 2843-2851, 2018 | 23 | 2018 |
| Finding multiple reaction pathways of ligand unbinding J Rydzewski, O Valsson The Journal of Chemical Physics 150 (22), 221101, 2019 | 14 | 2019 |
| Communication: Entropic measure to prevent energy over-minimization in molecular dynamics simulations J Rydzewski, R Jakubowski, W Nowak The Journal of Chemical Physics 143 (17), 171103, 2015 | 12 | 2015 |
| Thermodynamics of camphor migration in cytochrome P450cam by atomistic simulations J Rydzewski, W Nowak Scientific Reports 7, 7736, 2017 | 11 | 2017 |
| Multiscale reweighted stochastic embedding: Deep learning of collective variables for enhanced sampling J Rydzewski, O Valsson The Journal of Physical Chemistry A 125 (28), 6286-6302, 2021 | 7 | 2021 |
| Photoinduced transport in an H64Q neuroglobin antidote for carbon monoxide poisoning J Rydzewski, W Nowak The Journal of Chemical Physics 148 (11), 115101, 2018 | 6 | 2018 |
| Rare-event sampling in ligand diffusion: Reply to comments on" Ligand diffusion in proteins via enhanced sampling in molecular dynamics" J Rydzewski, W Nowak Physics of Life Reviews 22, 85-87, 2017 | 6 | 2017 |
| maze: Heterogeneous ligand unbinding along transient protein tunnels J Rydzewski Computer Physics Communications 247, 106865, 2020 | 5 | 2020 |
| Prebiotic Soup Components Trapped in Montmorillonite Nanoclay Form New Molecules: Car-Parrinello Ab Initio Simulations JF Carrascoza Mayén, J Rydzewski, N Szostak, J Blazewicz, W Nowak Life 9 (2), 46, 2019 | 4 | 2019 |
| Nanomechanics of PCNA: a protein-made DNA sliding clamp J Rydzewski, W Strzalka, W Nowak Chemical Physics Letters 634, 236–242, 2015 | 3 | 2015 |
| Conformational sampling of a biomolecular rugged energy landscape J Rydzewski, R Jakubowski, G Nicosia, W Nowak IEEE/ACM Transactions on Computational Biology and Bioinformatics 15 (3 …, 2016 | 2 | 2016 |
| Molecular dynamics simulations of large systems in electronic excited states J Rydzewski, W Nowak Handbook of Computational Chemistry, 2016 | 1 | 2016 |
| Enhancing the Inhomogeneous Photodynamics of Canonical Bacteriophytochrome J Rydzewski, K Walczewska-Szewc, S Czach, W Nowak, K Kuczera Journal of Physical Chemistry B 126 (14), 2647–2657, 2022 | | 2022 |
| Inhibition-mediated changes in prolyl oligopeptidase dynamics possibly related to α-synuclein aggregation K Walczewska-Szewc, J Rydzewski, A Lewkowicz Physical Chemistry Chemical Physics 24, 4366-4373, 2022 | | 2022 |
| Learning Stochastic Representations of Physical Systems J Rydzewski, O Valsson | | 2021 |
| Multiscale Reweighted Stochastic Embedding (MRSE): Deep Learning of Collective Variables for Enhanced Sampling (Version 1.0.0) [Data set]. J Rydzewski, O Valsson https://doi.org/10.5281/zenodo.4756093, 2021 | | 2021 |
Wieslaw NowakProfessor of Physics, Institute of Physics, Nicolaus Copernicus University, Torun, PolandZweryfikowany adres z fizyka.umk.pl
