| Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit [7] uril CN Nguyen, T Kurtzman Young, MK Gilson The Journal of chemical physics 137 (4), 2012 | 323 | 2012 |
| Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit [7] uril CN Nguyen, T Kurtzman Young, MK Gilson The Journal of chemical physics 137 (4), 2012 | 323 | 2012 |
| AMBER 2018, University of California, San Francisco DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Ta [Google Scholar], 2018 | 150 | 2018 |
| Thermodynamics of water in an enzyme active site: grid-based hydration analysis of coagulation factor Xa CN Nguyen, A Cruz, MK Gilson, T Kurtzman Journal of chemical theory and computation 10 (7), 2769-2780, 2014 | 135 | 2014 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 110 | 2018 |
| Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST S Ramsey, C Nguyen, R Salomon‐Ferrer, RC Walker, MK Gilson, ... Journal of computational chemistry 37 (21), 2029-2037, 2016 | 108 | 2016 |
| Testing inhomogeneous solvation theory in structure-based ligand discovery TE Balius, M Fischer, RM Stein, TB Adler, CN Nguyen, A Cruz, MK Gilson, ... Proceedings of the National Academy of Sciences 114 (33), E6839-E6846, 2017 | 78 | 2017 |
| AMBER 2018 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco, 2018 | 49 | 2018 |
| Spatial decomposition of translational water–water correlation entropy in binding pockets CN Nguyen, T Kurtzman, MK Gilson Journal of chemical theory and computation 12 (1), 414-429, 2016 | 43 | 2016 |
| AMBER 20182018University of California DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... San Francisco, 0 | 34 | |
| AMBER 18; 2018 D Case, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham III, V Cruzeiro, ... University of California, San Francisco, 2018 | 32 | 2018 |
| Structure and thermodynamics of molecular hydration via grid inhomogeneous solvation theory C Nguyen, MK Gilson, T Young arXiv preprint arXiv:1108.4876, 2011 | 31 | 2011 |
| A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site C Nguyen, T Yamazaki, A Kovalenko, DA Case, MK Gilson, T Kurtzman, ... PLoS One 14 (7), e0219473, 2019 | 29 | 2019 |
| Parameterization of an effective potential for protein–ligand binding from host–guest affinity data L Wickstrom, N Deng, P He, A Mentes, C Nguyen, MK Gilson, T Kurtzman, ... Journal of Molecular Recognition 29 (1), 10-21, 2016 | 28 | 2016 |
| Preferential solvation dynamics in liquids: How geodesic pathways through the potential energy landscape reveal mechanistic details about solute relaxation in liquids CN Nguyen, RM Stratt The Journal of chemical physics 133 (12), 2010 | 27 | 2010 |
| Amber18 TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, ... University of California, San Francisco: San Francisco, CA, 2018 | 23 | 2018 |
| AMBER 18 C DA, S Ben-Shalom, D Brozell, T Cerutti III, V Cheatham III, T Cruzeiro, ... University of California, San Francisco, 2018 | 19 | 2018 |
| Erratum:“Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit [7] uril”[J. Chem. Phys. 137, 044101 (2012)] CN Nguyen, TK Young, MK Gilson The Journal of chemical physics 137 (14), 2012 | 16 | 2012 |
| AMBER 2018 DAC IYB-S, SR Brozell, DS Cerutti, T Cheatham III, V Cruzeiro, T Darden, ... University of California, San Francisco, 2018 | 13 | 2018 |
| Amber 2019, 2019 D Case, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, V Cruzeiro III, ... University of California, San Francisco, 0 | 9 | |
Michael K GilsonUniversity of California San DiegoGeverifieerd e-mailadres voor health.ucsd.edu
