| Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, 2014 | 14432* | 2014 |
| Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008 | 11983* | 2008 |
| The Amber biomolecular simulation programs DA Case, TE Cheatham, T Darden, H Gohlke, R Luo, KM Merz, A Onufriev, ... Journal of computational chemistry 26 (16), 1668-1688, 2005 | 9789 | 2005 |
| AMBER 9 University of California DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... San Francisco, 2006 | 3844* | 2006 |
| MMPBSA.py: An Efficient Program for End-State Free Energy Calculations BR Miller III, TD McGee Jr, JM Swails, N Homeyer, H Gohlke, AE Roitberg Journal of chemical theory and computation 8 (9), 3314-3321, 2012 | 3432 | 2012 |
| Knowledge-based scoring function to predict protein-ligand interactions H Gohlke, M Hendlich, G Klebe Journal of molecular biology 295 (2), 337-356, 2000 | 1458 | 2000 |
| Insights into protein–protein binding by binding free energy calculation and free energy decomposition for the Ras–Raf and Ras–RalGDS complexes H Gohlke, C Kiel, DA Case Journal of molecular biology 330 (4), 891-913, 2003 | 1294 | 2003 |
| Approaches to the description and prediction of the binding affinity of small‐molecule ligands to macromolecular receptors H Gohlke, G Klebe Angewandte Chemie International Edition 41 (15), 2644-2676, 2002 | 1090 | 2002 |
| Free energy calculations by the molecular mechanics Poisson− Boltzmann surface area method N Homeyer, H Gohlke Molecular informatics 31 (2), 114-122, 2012 | 960 | 2012 |
| Converging free energy estimates: MM‐PB (GB) SA studies on the protein–protein complex Ras–Raf H Gohlke, DA Case Journal of computational chemistry 25 (2), 238-250, 2004 | 956 | 2004 |
| Assessing scoring functions for protein− ligand interactions P Ferrara, H Gohlke, DJ Price, G Klebe, CL Brooks Journal of medicinal chemistry 47 (12), 3032-3047, 2004 | 603 | 2004 |
| AMBER 10; University of California: San Francisco, 2008 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2008 | 508 | 2008 |
| A toolkit and benchmark study for FRET-restrained high-precision structural modeling S Kalinin, T Peulen, S Sindbert, PJ Rothwell, S Berger, T Restle, ... Nature methods 9 (12), 1218-1225, 2012 | 462 | 2012 |
| DrugScoreCSDKnowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and … HFG Velec, H Gohlke, G Klebe Journal of medicinal chemistry 48 (20), 6296-6303, 2005 | 445 | 2005 |
| AMBER 6, University of California, San Francisco, 1999 DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, WS Ross, ... There is no corresponding record for this reference, 2007 | 386* | 2007 |
| Target flexibility: an emerging consideration in drug discovery and design P Cozzini, GE Kellogg, F Spyrakis, DJ Abraham, G Costantino, A Emerson, ... Journal of medicinal chemistry 51 (20), 6237-6255, 2008 | 367 | 2008 |
| AMBER 14; University of California: San Francisco, 2014 DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... There is no corresponding record for this reference, 1-826, 2014 | 313* | 2014 |
| Statistical potentials and scoring functions applied to protein–ligand binding H Gohlke, G Klebe Current opinion in structural biology 11 (2), 231-235, 2001 | 271 | 2001 |
| AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... There is no corresponding record for this reference, 2015 | 256 | 2015 |
| Histone deacetylase (HDAC) inhibitors with a novel connecting unit linker region reveal a selectivity profile for HDAC4 and HDAC5 with improved activity against chemoresistant … L Marek, A Hamacher, FK Hansen, K Kuna, H Gohlke, MU Kassack, ... Journal of medicinal chemistry 56 (2), 427-436, 2013 | 242 | 2013 |
