NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 625 | 2020 |
Shedding light on the dark and weakly fluorescent states of green fluorescent proteins W Weber, V Helms, JA McCammon, PW Langhoff Proceedings of the National Academy of Sciences 96 (11), 6177-6182, 1999 | 418 | 1999 |
The mechanism of proton exclusion in the aquaporin-1 water channel BL De Groot, T Frigato, V Helms, H Grubmüller Journal of molecular biology 333 (2), 279-293, 2003 | 347 | 2003 |
Protein translocation across the ER membrane R Zimmermann, S Eyrisch, M Ahmad, V Helms Biochimica et Biophysica Acta (BBA)-Biomembranes 1808 (3), 912-924, 2011 | 337 | 2011 |
Transient pockets on protein surfaces involved in protein− protein interaction S Eyrisch, V Helms Journal of medicinal chemistry 50 (15), 3457-3464, 2007 | 281 | 2007 |
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
BiP‐mediated closing of the Sec61 channel limits Ca2+ leakage from the ER N Schäuble, S Lang, M Jung, S Cappel, S Schorr, Ö Ulucan, J Linxweiler, ... The EMBO journal 31 (15), 3282-3296, 2012 | 203 | 2012 |
Adhesive water networks facilitate binding of protein interfaces M Ahmad, W Gu, T Geyer, V Helms Nature communications 2 (1), 261, 2011 | 176 | 2011 |
An update on Sec61 channel functions, mechanisms, and related diseases S Lang, S Pfeffer, PH Lee, A Cavalié, V Helms, F Förster, R Zimmermann Frontiers in physiology 8, 887, 2017 | 168 | 2017 |
Proton shuttle in green fluorescent protein studied by dynamic simulations MA Lill, V Helms Proceedings of the National Academy of Sciences 99 (5), 2778-2781, 2002 | 162 | 2002 |
A STIM2 splice variant negatively regulates store-operated calcium entry AM Miederer, D Alansary, G Schwär, PH Lee, M Jung, V Helms, ... Nature communications 6 (1), 6899, 2015 | 154 | 2015 |
Interfering with bacterial quorum sensing K Reuter, A Steinbach, V Helms Perspectives in Medicinal Chemistry 8, PMC. S13209, 2016 | 153 | 2016 |
Diffusional encounter of barnase and barstar A Spaar, C Dammer, RR Gabdoulline, RC Wade, V Helms Biophysical journal 90 (6), 1913-1924, 2006 | 151 | 2006 |
Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane R Devanathan, A Venkatnathan, R Rousseau, M Dupuis, T Frigato, W Gu, ... The Journal of Physical Chemistry B 114 (43), 13681-13690, 2010 | 146 | 2010 |
Interaction of calmodulin with Sec61α limits Ca2+ leakage from the endoplasmic reticulum F Erdmann, N Schäuble, S Lang, M Jung, A Honigmann, M Ahmad, ... The EMBO journal 30 (1), 17-31, 2011 | 134 | 2011 |
Protein dynamics tightly connected to the dynamics of surrounding and internal water molecules V Helms ChemPhysChem 8 (1), 23-33, 2007 | 134 | 2007 |
Principles of computational cell biology: from protein complexes to cellular networks V Helms John Wiley & Sons, 2018 | 120 | 2018 |
Thermodynamics of water mediating protein-ligand interactions in cytochrome P450cam: a molecular dynamics study V Helms, RC Wade Biophysical journal 69 (3), 810-824, 1995 | 120 | 1995 |
Computational alchemy to calculate absolute protein− ligand binding free energy V Helms, RC Wade Journal of the American Chemical Society 120 (12), 2710-2713, 1998 | 117 | 1998 |
Dynamic water networks in cytochrome c oxidase from Paracoccus denitrificans investigated by molecular dynamics simulations E Olkhova, MC Hutter, MA Lill, V Helms, H Michel Biophysical journal 86 (4), 1873-1889, 2004 | 113 | 2004 |