-
1
-
-
0031058541
-
The statistical-thermodynamic basis for computation of binding affinities: A critical review
-
Gilson MK, Given JA, Bush BL, McCammon JA. The statistical-thermodynamic basis for computation of binding affinities: A critical review. Biophys J 1997;72:1047-1069.
-
(1997)
Biophys J
, vol.72
, pp. 1047-1069
-
-
Gilson, M.K.1
Given, J.A.2
Bush, B.L.3
McCammon, J.A.4
-
2
-
-
0030917908
-
Loss of translational entropy in binding, folding, and catalysis
-
Amzel LM. Loss of translational entropy in binding, folding, and catalysis. Proteins 1997;28:144-149.
-
(1997)
Proteins
, vol.28
, pp. 144-149
-
-
Amzel, L.M.1
-
3
-
-
0030961726
-
Entropy in protein folding and in protein-protein interactions
-
Brady GP, Sharp KA. Entropy in protein folding and in protein-protein interactions. Curr Opin Struct Biol 1997;7:215-221.
-
(1997)
Curr Opin Struct Biol
, vol.7
, pp. 215-221
-
-
Brady, G.P.1
Sharp, K.A.2
-
4
-
-
0031567782
-
The entropy cost of protein association
-
Tamura A, Privalov P. The entropy cost of protein association. J Mol Biol 1997;273:1048-1060.
-
(1997)
J Mol Biol
, vol.273
, pp. 1048-1060
-
-
Tamura, A.1
Privalov, P.2
-
6
-
-
0015101706
-
Entropic contributions to rate accelerations in enzymic and intramolecular reactions and the chelate effect
-
Page MI, Jencks WP. Entropic contributions to rate accelerations in enzymic and intramolecular reactions and the chelate effect. Proc Natl Acad Sci U S A 1971;68:1678-1683.
-
(1971)
Proc Natl Acad Sci U S A
, vol.68
, pp. 1678-1683
-
-
Page, M.I.1
Jencks, W.P.2
-
7
-
-
0029873183
-
Ground state conformations and entropic and enthalpic factors in the efficiency of intramolecular and enzymatic reactions
-
Lightstone FC, Bruice TC. Ground state conformations and entropic and enthalpic factors in the efficiency of intramolecular and enzymatic reactions. J Am Chem Soc 1996;118:2595-2605.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 2595-2605
-
-
Lightstone, F.C.1
Bruice, T.C.2
-
8
-
-
0034710867
-
How important are entropic contributions to enzyme catalysis?
-
Villà J, Strajbl M, Glennon TM, Sham YY, Chu ZT, Warshel A. How important are entropic contributions to enzyme catalysis? Proc Natl Acad Sci U S A 2000;97:11899-11904.
-
(2000)
Proc Natl Acad Sci U S A
, vol.97
, pp. 11899-11904
-
-
Villà, J.1
Strajbl, M.2
Glennon, T.M.3
Sham, Y.Y.4
Chu, Z.T.5
Warshel, A.6
-
9
-
-
0036677555
-
On the calculation of absolute macromolecular binding energies
-
Luo H, Sharp K. On the calculation of absolute macromolecular binding energies. Proc Natl Acad Sci U S A 2002;99:10399-10404.
-
(2002)
Proc Natl Acad Sci U S A
, vol.99
, pp. 10399-10404
-
-
Luo, H.1
Sharp, K.2
-
10
-
-
0001666112
-
Entropy changes accompanying association reactions of proteins
-
Steinberg IZ, Scheraga HA. Entropy changes accompanying association reactions of proteins. J Biol Chem 1963;238:172-181.
-
(1963)
J Biol Chem
, vol.238
, pp. 172-181
-
-
Steinberg, I.Z.1
Scheraga, H.A.2
-
11
-
-
0029878140
-
For Guldberg and Waage, with love and cratic entropy
-
Janin J. For Guldberg and Waage, with love and cratic entropy. Proteins 1996;24:i-ii.
-
(1996)
Proteins
, vol.24
-
-
Janin, J.1
-
12
-
-
0028861437
-
Elusive affinities
-
Janin J. Elusive affinities. Proteins 1995;21:30-39.
-
(1995)
Proteins
, vol.21
, pp. 30-39
-
-
Janin, J.1
-
13
-
-
0024745871
-
The price of lost freedom: Entropy of bimolecular complex formation
-
Finkelstein AV, Janin J. The price of lost freedom: Entropy of bimolecular complex formation. Protein Eng 1989;3:1-3.
-
(1989)
Protein Eng
, vol.3
, pp. 1-3
-
-
Finkelstein, A.V.1
Janin, J.2
-
16
-
-
0034870959
-
Contribution of translational and rotational motions to molecular association in aqueous solution
-
Yu YB, Privalov PL, Hodges RS. Contribution of translational and rotational motions to molecular association in aqueous solution. Biophys J 2001;81:1632-1642.
-
(2001)
Biophys J
, vol.81
, pp. 1632-1642
-
-
Yu, Y.B.1
Privalov, P.L.2
Hodges, R.S.3
-
18
-
-
0000458610
-
Critique of the free volume of the liquid state
-
Kirkwood JG. Critique of the free volume of the liquid state. J Chem Phys 1950;18:380-382.
-
(1950)
J Chem Phys
, vol.18
, pp. 380-382
-
-
Kirkwood, J.G.1
-
19
-
-
0034728563
-
Synthetic adenine receptors: Direct calculation of binding affinity and entropy
-
Luo R, Gilson MK. Synthetic adenine receptors: Direct calculation of binding affinity and entropy. J Am Chem Soc 2000;122:2934-2937.
-
(2000)
J Am Chem Soc
, vol.122
, pp. 2934-2937
-
-
Luo, R.1
Gilson, M.K.2
-
20
-
-
0030887944
-
Inclusion of loss of translational and rotational freedom in theoretical estimates of free energies of binding: Application to a complex of benzene and mutant T4 lysozyme
-
Hermans J, Wang L. Inclusion of loss of translational and rotational freedom in theoretical estimates of free energies of binding: Application to a complex of benzene and mutant T4 lysozyme. J Am Chem Soc 1997;119:2707-2714.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 2707-2714
-
-
Hermans, J.1
Wang, L.2
-
21
-
-
84986512474
-
CHARMM - A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathan S, Karplus M. CHARMM - a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 1983;4:187-217.
-
(1983)
J Comput Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
22
-
-
33646940952
-
Numerical integration of Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert JP, Cicotti G, Berendsen HJC. Numerical integration of Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J Comput Phys 1977;23:327-341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Cicotti, G.2
Berendsen, H.J.C.3
-
23
-
-
33750587438
-
Molecular-dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, Van Gunsteren WF, Dinola A, Haak JR. Molecular-dynamics with coupling to an external bath. J Chem Phys 1984;81:3684-3690.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
24
-
-
0001538909
-
Canonical dynamics-equilibrium phase-space distributions
-
Hoover WG. Canonical dynamics-equilibrium phase-space distributions. Phys Rev A 1985;31:1695-1697.
-
(1985)
Phys Rev A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
25
-
-
34547809547
-
A unified formulation of the constant temperature molecular-dynamics methods
-
Nose S. A unified formulation of the constant temperature molecular-dynamics methods. J Chem Phys 1984;81:511-519.
-
(1984)
J Chem Phys
, vol.81
, pp. 511-519
-
-
Nose, S.1
-
26
-
-
0026509036
-
A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene
-
Eriksson AE, Baase WA, Wozniak JA, Matthews BW. A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene. Nature 1992;355:371-373.
-
(1992)
Nature
, vol.355
, pp. 371-373
-
-
Eriksson, A.E.1
Baase, W.A.2
Wozniak, J.A.3
Matthews, B.W.4
-
29
-
-
0028228418
-
The entropic cost of bound water in crystals and biomolecules
-
Dunitz JD. The entropic cost of bound water in crystals and biomolecules. Science 1994;264:670.
-
(1994)
Science
, vol.264
, pp. 670
-
-
Dunitz, J.D.1
-
31
-
-
0015977588
-
The interpretation of protein structures: Total volume, group volume distributions and packing density
-
Richards FM. The interpretation of protein structures: Total volume, group volume distributions and packing density. J Mol Biol 1974;82:1-14.
-
(1974)
J Mol Biol
, vol.82
, pp. 1-14
-
-
Richards, F.M.1
-
32
-
-
0028127923
-
Entropy in biological processes: Estimation of translational entropy loss
-
Murphy KP, Xie D, Thompson KS, Amzel LM, Freire E. Entropy in biological processes: Estimation of translational entropy loss. Proteins 1994;18:63-67.
-
(1994)
Proteins
, vol.18
, pp. 63-67
-
-
Murphy, K.P.1
Xie, D.2
Thompson, K.S.3
Amzel, L.M.4
Freire, E.5
-
33
-
-
0015222647
-
The interpretation of protein structures: Estimation of static accessibility
-
Lee B, Richards FM. The interpretation of protein structures: Estimation of static accessibility. J Mol Biol 1971;55:379-400.
-
(1971)
J Mol Biol
, vol.55
, pp. 379-400
-
-
Lee, B.1
Richards, F.M.2
|