Michael K Gilson
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DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 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
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
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
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
Calculation of protein-ligand binding affinities
MK Gilson, HX Zhou
Annu. Rev. Biophys. Biomol. Struct. 36 (1), 21-42, 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
Prediction of pH-dependent properties of proteins
J Antosiewicz, JA McCammon, MK Gilson
Journal of molecular biology 238 (3), 415-436, 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
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
The dielectric constant of a folded protein
MK Gilson, BH Honig
Biopolymers: Original Research on Biomolecules 25 (11), 2097-2119, 1986
The determinants of p K as in proteins
J Antosiewicz, JA McCammon, MK Gilson
Biochemistry 35 (24), 7819-7833, 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
Calculation of electrostatic potentials in an enzyme active site
MK Gilson, BH Honig
Nature 330 (6143), 84-86, 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
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
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
Theory of free energy and entropy in noncovalent binding
HX Zhou, MK Gilson
Chemical reviews 109 (9), 4092-4107, 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
Energetics of charge–charge interactions in proteins
MK Gilson, BH Honig
Proteins: Structure, Function, and Bioinformatics 3 (1), 32-52, 1988
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