-
1
-
-
7044239742
-
Free-energy calculations - Applications to chemical and biochemical phenomena
-
Kollman P. Free-energy calculations - applications to chemical and biochemical phenomena. Chem Rev 1993;93:2395-2417.
-
(1993)
Chem Rev
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
2
-
-
0025283002
-
Electrostatic interactions in macromolecules: Theory and applications
-
Sharp KA, Honig B. Electrostatic interactions in macromolecules: theory and applications. Annu Rev Biophys Biophys Chem 1990; 19:301-332.
-
(1990)
Annu Rev Biophys Biophys Chem
, vol.19
, pp. 301-332
-
-
Sharp, K.A.1
Honig, B.2
-
3
-
-
0031547977
-
Empirical free energy calculations - A blind test and further improvements to the method
-
Novotny J, Bruccoleri RE, Davis M, Sharp KA. Empirical free energy calculations - a blind test and further improvements to the method. J Mol Biol 1997;268:401-411.
-
(1997)
J Mol Biol
, vol.268
, pp. 401-411
-
-
Novotny, J.1
Bruccoleri, R.E.2
Davis, M.3
Sharp, K.A.4
-
4
-
-
0032538940
-
Mean-field analysis of protein-protein interactions
-
Olson MA. Mean-field analysis of protein-protein interactions. Biophys Chem 1998;75:115-128.
-
(1998)
Biophys Chem
, vol.75
, pp. 115-128
-
-
Olson, M.A.1
-
5
-
-
0032189032
-
Calculations of HyHEL10-lysozyme binding free energy changes: Effect of ten point mutations
-
Sharp KA. Calculations of HyHEL10-lysozyme binding free energy changes: effect of ten point mutations. Proteins 1998;33: 39-48.
-
(1998)
Proteins
, vol.33
, pp. 39-48
-
-
Sharp, K.A.1
-
6
-
-
0032031405
-
Electrostatic contributions to protein-protein binding affinities: Application to Rap/Raf interaction
-
Muegge I, Schweins T, Warshel A. Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction. Proteins 1998;30:407-423.
-
(1998)
Proteins
, vol.30
, pp. 407-423
-
-
Muegge, I.1
Schweins, T.2
Warshel, A.3
-
7
-
-
0010624785
-
The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins
-
Sham YY, Muegge I, Warshel A. The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins. Biophys J 1998;74:1744-1753.
-
(1998)
Biophys J
, vol.74
, pp. 1744-1753
-
-
Sham, Y.Y.1
Muegge, I.2
Warshel, A.3
-
8
-
-
0031404601
-
A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding
-
Muegge I, Tao H, Warshel A. A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding. Protein Eng 1997;10:1363-1372.
-
(1997)
Protein Eng
, vol.10
, pp. 1363-1372
-
-
Muegge, I.1
Tao, H.2
Warshel, A.3
-
9
-
-
0030890485
-
Microscopic and semimacroscopic redox calculations: What can and cannot be learned from continuum models
-
Warshel A, Papazyan A, Muegge I. Microscopic and semimacroscopic redox calculations: what can and cannot be learned from continuum models. J Biol Inorg Chem 1997;2:143-152.
-
(1997)
J Biol Inorg Chem
, vol.2
, pp. 143-152
-
-
Warshel, A.1
Papazyan, A.2
Muegge, I.3
-
10
-
-
0028014642
-
Bound water molecules and conformational stabilization help mediate an antigen-antibody association
-
Bhat TN, Bentley GA, Boulot G, et al. Bound water molecules and conformational stabilization help mediate an antigen-antibody association. Proc Natl Acad Sci USA 1994;91:1089-1093.
-
(1994)
Proc Natl Acad Sci USA
, vol.91
, pp. 1089-1093
-
-
Bhat, T.N.1
Bentley, G.A.2
Boulot, G.3
-
11
-
-
0029764534
-
A mutational analysis of the binding of two different proteins to the same antibody
-
Dall'Acqua W, Goldman ER, Eisenstein E, Mariuzza RA. A mutational analysis of the binding of two different proteins to the same antibody. Biochemistry 1996;35:9667-9676.
-
(1996)
Biochemistry
, vol.35
, pp. 9667-9676
-
-
Dall'Acqua, W.1
Goldman, E.R.2
Eisenstein, E.3
Mariuzza, R.A.4
-
12
-
-
0023779259
-
Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis
-
Gilson MK, Honig B. Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis. Proteins 1988;4:7-8.
-
(1988)
Proteins
, vol.4
, pp. 7-8
-
-
Gilson, M.K.1
Honig, B.2
-
13
-
-
0028180523
-
Application of scaled particle theory to model the hydrophobic effect: Implications for molecular association and protein stability
-
Jackson RM, Sternberg MJE. Application of scaled particle theory to model the hydrophobic effect: implications for molecular association and protein stability. Protein Eng 1994;7:371-383.
-
(1994)
Protein Eng
, vol.7
, pp. 371-383
-
-
Jackson, R.M.1
Sternberg, M.J.E.2
-
14
-
-
84988087911
-
Calculating the electrostatic potential of molecules in solution: Method and error assessments
-
Gilson MK, Sharp KA, Honig B. Calculating the electrostatic potential of molecules in solution: method and error assessments. J Comput Chem 1988;9:327-335.
-
(1988)
J Comput Chem
, vol.9
, pp. 327-335
-
-
Gilson, M.K.1
Sharp, K.A.2
Honig, B.3
-
15
-
-
32844457567
-
Accurate calculation of hydration free energies using macroscopic solvent models
-
Stifoff D, Sharp KA, Honig B. Accurate calculation of hydration free energies using macroscopic solvent models. J Phys Chem 1994;98:1978-1988.
-
(1994)
J Phys Chem
, vol.98
, pp. 1978-1988
-
-
Stifoff, D.1
Sharp, K.A.2
Honig, B.3
-
17
-
-
0026319199
-
Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons
-
Nicholls A, Sharp KA, Honig B. Protein folding and association: insights from the interfacial and thermodynamic properties of hydrocarbons. Proteins 1991;11:281-296.
-
(1991)
Proteins
, vol.11
, pp. 281-296
-
-
Nicholls, A.1
Sharp, K.A.2
Honig, B.3
-
18
-
-
0032905173
-
Free energy determinants of binding the rRNA substrate and small ligands to ricin a-chain
-
Olson MA, Cuff L. Free energy determinants of binding the rRNA substrate and small ligands to ricin A-chain. Biophys J 1999;76: 28-39.
-
(1999)
Biophys J
, vol.76
, pp. 28-39
-
-
Olson, M.A.1
Cuff, L.2
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