| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5439 | 2021 |
| BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities T Liu, Y Lin, X Wen, RN Jorissen, MK Gilson Nucleic acids research 35 (suppl_1), D198-D201, 2007 | 1953 | 2007 |
| Calculating the electrostatic potential of molecules in solution: method and error assessment MK Gilson, KA Sharp, BH Honig Journal of computational chemistry 9 (4), 327-335, 1988 | 1416 | 1988 |
| The statistical-thermodynamic basis for computation of binding affinities: a critical review MK Gilson, JA Given, BL Bush, JA McCammon Biophysical journal 72 (3), 1047-1069, 1997 | 1379 | 1997 |
| BindingDB in 2015: a public database for medicinal chemistry, computational chemistry and systems pharmacology MK Gilson, T Liu, M Baitaluk, G Nicola, L Hwang, J Chong Nucleic acids research 44 (D1), D1045-D1053, 2016 | 1226 | 2016 |
| Calculation of protein-ligand binding affinities MK Gilson, HX Zhou Annu. Rev. Biophys. Biomol. Struct. 36 (1), 21-42, 2007 | 1137 | 2007 |
| Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis MK Gilson, B Honig Proteins: Structure, Function, and Bioinformatics 4 (1), 7-18, 1988 | 1038 | 1988 |
| Prediction of pH-dependent properties of proteins J Antosiewicz, JA McCammon, MK Gilson Journal of molecular biology 238 (3), 415-436, 1994 | 993 | 1994 |
| Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program JD Madura, JM Briggs, RC Wade, ME Davis, BA Luty, A Ilin, J Antosiewicz, ... Computer Physics Communications 91 (1-3), 57-95, 1995 | 768 | 1995 |
| A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy–entropy compensation MV Rekharsky, T Mori, C Yang, YH Ko, N Selvapalam, H Kim, ... Proceedings of the National Academy of Sciences 104 (52), 20737-20742, 2007 | 645 | 2007 |
| The dielectric constant of a folded protein MK Gilson, BH Honig Biopolymers: Original Research on Biomolecules 25 (11), 2097-2119, 1986 | 582 | 1986 |
| The determinants of p K as in proteins J Antosiewicz, JA McCammon, MK Gilson Biochemistry 35 (24), 7819-7833, 1996 | 556 | 1996 |
| Accelerated Poisson–Boltzmann calculations for static and dynamic systems R Luo, L David, MK Gilson Journal of computational chemistry 23 (13), 1244-1253, 2002 | 536 | 2002 |
| Calculation of electrostatic potentials in an enzyme active site MK Gilson, BH Honig Nature 330 (6143), 84-86, 1987 | 523 | 1987 |
| Ligand configurational entropy and protein binding CA Chang, W Chen, MK Gilson Proceedings of the National Academy of Sciences 104 (5), 1534-1539, 2007 | 467 | 2007 |
| Computation of electrostatic forces on solvated molecules using the Poisson-Boltzmann equation MK Gilson, ME Davis, BA Luty, JA McCammon The Journal of Physical Chemistry 97 (14), 3591-3600, 1993 | 422 | 1993 |
| On the calculation of electrostatic interactions in proteins MK Gilson, A Rashin, R Fine, B Honig Journal of molecular biology 184 (3), 503-516, 1985 | 420 | 1985 |
| Theory of free energy and entropy in noncovalent binding HX Zhou, MK Gilson Chemical reviews 109 (9), 4092-4107, 2009 | 407 | 2009 |
| New ultrahigh affinity host− guest complexes of cucurbit [7] uril with bicyclo [2.2. 2] octane and adamantane guests: Thermodynamic analysis and evaluation of m2 affinity … S Moghaddam, C Yang, M Rekharsky, YH Ko, K Kim, Y Inoue, MK Gilson Journal of the American Chemical Society 133 (10), 3570-3581, 2011 | 390 | 2011 |
| Energetics of charge–charge interactions in proteins MK Gilson, BH Honig Proteins: Structure, Function, and Bioinformatics 3 (1), 32-52, 1988 | 389 | 1988 |
Prof. J. Andrew McCammonUniversity of California, San Diego在 ucsd.edu 的电子邮件经过验证
