| 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 | 177 | 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 | 121 | 2017 |
| The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster V Fourmond, C Greco, K Sybirna, C Baffert, PH Wang, P Ezanno, ... Nature chemistry 6 (4), 336-342, 2014 | 108 | 2014 |
| Multiscale Simulation Reveals Multiple Pathways for H2 and O2 Transport in a [NiFe]-Hydrogenase P Wang, RB Best, J Blumberger Journal of the American Chemical Society 133 (10), 3548-3556, 2011 | 77 | 2011 |
| Mechanistic insight into the blocking of CO diffusion in [NiFe]-hydrogenase mutants through multiscale simulation P Wang, J Blumberger Proceedings of the National Academy of Sciences 109 (17), 6399-6404, 2012 | 55 | 2012 |
| Influence of protein crowder size on hydration structure and dynamics in macromolecular crowding P Wang, I Yu, M Feig, Y Sugita Chemical Physics Letters 671, 63-70, 2017 | 54 | 2017 |
| Uncovering a dynamically formed substrate access tunnel in carbon monoxide dehydrogenase/acetyl-CoA synthase P Wang, M Bruschi, L De Gioia, J Blumberger Journal of the American Chemical Society 135 (25), 9493-9502, 2013 | 50 | 2013 |
| Combining experimental and theoretical methods to learn about the reactivity of gas-processing metalloenzymes C Greco, V Fourmond, C Baffert, P Wang, S Dementin, P Bertrand, ... Energy & Environmental Science 7 (11), 3543-3573, 2014 | 46 | 2014 |
| Dynamics of nitric oxide controlled by protein complex in bacterial system E Terasaka, K Yamada, PH Wang, K Hosokawa, R Yamagiwa, ... Proceedings of the National Academy of Sciences 114 (37), 9888-9893, 2017 | 45 | 2017 |
| 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 | 34 | 2018 |
| A microscopic model for gas diffusion dynamics in a [NiFe]-hydrogenase P Wang, RB Best, J Blumberger Physical Chemistry Chemical Physics 13 (17), 7708-7719, 2011 | 28 | 2011 |
| Glycan engineering of the SARS-CoV-2 receptor-binding domain elicits cross-neutralizing antibodies for SARS-related viruses R Shinnakasu, S Sakakibara, H Yamamoto, P Wang, S Moriyama, N Sax, ... Journal of Experimental Medicine 218 (12), 2021 | 24 | 2021 |
| Identification of mutational hot spots for substrate diffusion: Application to myoglobin D De Sancho, A Kubas, PH Wang, J Blumberger, RB Best Journal of chemical theory and computation 11 (4), 1919-1927, 2015 | 20 | 2015 |
| Computation of rate constants for diffusion of small ligands to and from buried protein active sites PH Wang, D De Sancho, RB Best, J Blumberger Methods in enzymology 578, 299-326, 2016 | 8 | 2016 |
| Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster V Fourmond, C Greco, K Sybirna, C Baffert, PH Wang, P Ezanno, ... Nature chemistry 11 (11), 1067, 2019 | | 2019 |
| Correction to Identification of Mutational Hot Spots for Substrate Diffusion: Application to Myoglobin D De Sancho, A Kubas, PH Wang, J Blumberger, RB Best Journal of chemical theory and computation 14 (5), 2822-2822, 2018 | | 2018 |
| Protein Diffusion in a Dense Solution Studied by All-Atom Molecular Dynamics Simulations G Nawrocki, P Wang, I Yu, Y Sugita, M Feig Biophysical Journal 114 (3), 233a-234a, 2018 | | 2018 |
| Diffusional dynamics of proteins under crowded conditions M Feig, G Nawrocki, I Yu, P Wang, Y Sugita, T Kigawa ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| 2P131 The solvent-accessible surface area of proteins is a key factor for hydration structure and dynamics in crowded environment (07. Water & Hydration & Electrolyte, Poster … P Wang, I Yu, M Feig, Y Sugita Seibutsu Butsuri 54 (supplement1-2), S216, 2014 | | 2014 |
| Multiscale computational model for small ligand diffusion within proteins with application to hydrogenase and carbon monoxide dehyrogenase PH Wang, R Best, J Blumberger ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
Jochen BlumbergerUniversity College LondonOverená e-mailová adresa na: ucl.ac.uk