Michael K Gilson
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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
12921988
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
12332007
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
10741997
Prediction of pH-dependent properties of proteins
J Antosiewicz, JA McCammon, MK Gilson
Journal of molecular biology 238 (3), 415-436, 1994
9161994
Calculation of protein-ligand binding affinities
MK Gilson, HX Zhou
Annual review of biophysics and biomolecular structure 36, 2007
8992007
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
8821988
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
7051995
The dielectric constant of a folded protein
MK Gilson, BH Honig
Biopolymers: Original Research on Biomolecules 25 (11), 2097-2119, 1986
5301986
The determinants of p K as in proteins
J Antosiewicz, JA McCammon, MK Gilson
Biochemistry 35 (24), 7819-7833, 1996
5151996
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
4922007
Calculation of electrostatic potentials in an enzyme active site
MK Gilson, BH Honig
Nature 330 (6143), 84-86, 1987
4841987
Accelerated Poisson–Boltzmann calculations for static and dynamic systems
R Luo, L David, MK Gilson
Journal of computational chemistry 23 (13), 1244-1253, 2002
4322002
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
4052016
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
3751985
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
3711993
Ligand configurational entropy and protein binding
AC Chia-en, W Chen, MK Gilson
Proceedings of the National Academy of Sciences 104 (5), 1534-1539, 2007
3692007
Open" back door" in a molecular dynamics simulation of acetylcholinesterase
MK Gilson, TP Straatsma, JA McCammon, DR Ripoll, CH Faerman, ...
Science 263 (5151), 1276-1278, 1994
3341994
Multiple‐site titration and molecular modeling: Two rapid methods for computing energies and forces for ionizable groups in proteins
MK Gilson
Proteins: Structure, Function, and Bioinformatics 15 (3), 266-282, 1993
3291993
Energetics of charge–charge interactions in proteins
MK Gilson, BH Honig
Proteins: Structure, Function, and Bioinformatics 3 (1), 32-52, 1988
3191988
Virtual screening of molecular databases using a support vector machine
RN Jorissen, MK Gilson
Journal of chemical information and modeling 45 (3), 549-561, 2005
3022005
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