| A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force‐field parameter sets 53A5 and 53A6 C Oostenbrink, A Villa, AE Mark, WF Van Gunsteren Journal of computational chemistry 25 (13), 1656-1676, 2004 | 4485 | 2004 |
| An automated force field topology builder (ATB) and repository: version 1.0 AK Malde, L Zuo, M Breeze, M Stroet, D Poger, PC Nair, C Oostenbrink, ... Journal of chemical theory and computation 7 (12), 4026-4037, 2011 | 1898 | 2011 |
| Molecular dynamics simulations T Hansson, C Oostenbrink, WF van Gunsteren Current opinion in structural biology 12 (2), 190-196, 2002 | 931 | 2002 |
| The GROMOS software for biomolecular simulation: GROMOS05 M Christen, PH Hünenberger, D Bakowies, R Baron, R Bürgi, DP Geerke, ... Journal of computational chemistry 26 (16), 1719-1751, 2005 | 818 | 2005 |
| Biomolecular modeling: goals, problems, perspectives WF Van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ... Angewandte Chemie International Edition 45 (25), 4064-4092, 2006 | 763 | 2006 |
| Validation of the 53A6 GROMOS force field C Oostenbrink, TA Soares, NFA Van Der Vegt, WF Van Gunsteren European Biophysics Journal 34, 273-284, 2005 | 578 | 2005 |
| New interaction parameters for charged amino acid side chains in the GROMOS force field MM Reif, PH Hünenberger, C Oostenbrink Journal of chemical theory and computation 8 (10), 3705-3723, 2012 | 252 | 2012 |
| A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field I Chandrasekhar, M Kastenholz, RD Lins, C Oostenbrink, LD Schuler, ... European Biophysics Journal 32, 67-77, 2003 | 233 | 2003 |
| GROMOS++ software for the analysis of biomolecular simulation trajectories AP Eichenberger, JR Allison, J Dolenc, DP Geerke, BAC Horta, K Meier, ... Journal of chemical theory and computation 7 (10), 3379-3390, 2011 | 214 | 2011 |
| An improved nucleic acid parameter set for the GROMOS force field TA Soares, PH Hünenberger, MA Kastenholz, V Kräutler, T Lenz, RD Lins, ... Journal of computational chemistry 26 (7), 725-737, 2005 | 213 | 2005 |
| The role of water molecules in computational drug design S de Beer, NPE Vermeulen, C Oostenbrink Current topics in medicinal chemistry 10 (1), 55-66, 2010 | 208 | 2010 |
| Exploring genetic suppression interactions on a global scale J Van Leeuwen, C Pons, JC Mellor, TN Yamaguchi, H Friesen, ... Science 354 (6312), aag0839, 2016 | 190 | 2016 |
| A fast and sensitive activity assay for lytic polysaccharide monooxygenase E Breslmayr, M Hanžek, A Hanrahan, C Leitner, R Kittl, B Šantek, ... Biotechnology for biofuels 11, 1-13, 2018 | 181 | 2018 |
| Estimating entropies from molecular dynamics simulations C Peter, C Oostenbrink, A Van Dorp, WF Van Gunsteren The Journal of chemical physics 120 (6), 2652-2661, 2004 | 179 | 2004 |
| Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking C de Graaf, C Oostenbrink, PHJ Keizers, T van der Wijst, A Jongejan, ... Journal of medicinal chemistry 49 (8), 2417-2430, 2006 | 171 | 2006 |
| Identification of critical residues in novel drug metabolizing mutants of cytochrome P450 BM3 using random mutagenesis BMA van Vugt-Lussenburg, E Stjernschantz, J Lastdrager, C Oostenbrink, ... Journal of medicinal chemistry 50 (3), 455-461, 2007 | 155 | 2007 |
| Validation of molecular simulation: an overview of issues WF van Gunsteren, X Daura, N Hansen, AE Mark, C Oostenbrink, ... Angewandte Chemie International Edition 57 (4), 884-902, 2018 | 145 | 2018 |
| Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking J Hritz, A de Ruiter, C Oostenbrink Journal of medicinal chemistry 51 (23), 7469-7477, 2008 | 145 | 2008 |
| Improved ligand-protein binding affinity predictions using multiple binding modes E Stjernschantz, C Oostenbrink Biophysical journal 98 (11), 2682-2691, 2010 | 136 | 2010 |
| Free energy calculations of protein–ligand interactions A de Ruiter, C Oostenbrink Current opinion in chemical biology 15 (4), 547-552, 2011 | 132 | 2011 |
