-
1
-
-
0344796204
-
Ion-water interaction potentials derived from free energy perturbation simulations
-
(1990)
J Phys Chem
, vol.94
, pp. 8021-8224
-
-
Aqvist, J.1
-
2
-
-
0025005059
-
Free energy relationships in metalloenzyme-catalyzed reactions. Calculations of the effects of metal ion substitutions in staphylococcal nuclease
-
(1990)
J Am Chem Soc
, vol.112
, pp. 2860-2868
-
-
Aqvist, J.1
Warshel, A.2
-
4
-
-
0000189651
-
Density-functional thermochemistry. 3. The role of exact exchange
-
(1993)
J Chem Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
6
-
-
0017411710
-
The Protein Data Bank: A computer-based archival file for macromolecular structures
-
(1977)
J Mol Biol
, vol.112
, pp. 535-542
-
-
Bernstein, F.C.1
Koetzle, T.F.2
Williams, G.J.3
Meyer E.E., Jr.4
Brice, M.D.5
Rodgers, J.R.6
Kennard, O.7
Shimanouchi, T.8
Tasumi, M.9
-
7
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz K.M., Jr.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
10
-
-
0001882573
-
The role of zinc in alcohol dehydrogenase
-
Spiro TG, ed. Zinc enzymes. New York: John Wiley and Sons
-
(1983)
, pp. 124-153
-
-
Eklund, H.1
Branden, C.-T.2
-
11
-
-
0347652666
-
Ab initio calculations of proton dissociation energies of zinc ligands: Hypothesis of imidazolate as zinc ligand in proteins
-
(1999)
J Phys Chem B
, vol.103
, pp. 8773-8779
-
-
ElYazal, J.1
Pang, Y.P.2
-
12
-
-
0007513748
-
-
Entrez
-
(1999)
-
-
-
13
-
-
0007557083
-
-
ExPASy
-
(1999)
-
-
-
14
-
-
0007515196
-
-
GAUSSIAN 98, Revision A.7. Pittsburgh, Pennsylvania: Gaussian, Inc
-
(1999)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Hohnson, B.G.5
Robb, M.A.6
Raghavachari, K.7
Al-Laham, M.A.8
Zakrzewski, V.G.9
Ortiz, J.V.10
-
20
-
-
0027248872
-
Selective inhibition of ras-dependent transformation by a farnesyltransferase inhibitor
-
(1993)
Science
, vol.260
, pp. 1934-1937
-
-
Kohl, N.E.1
Mosser, S.D.2
DeSolms, S.J.3
Giuliani, E.A.4
Pompliano, D.L.5
Graham, S.L.6
Smith, R.L.7
Scolnick, E.M.8
Oliff, A.9
Gibbs, J.B.10
-
21
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
(1988)
Phys Rev
, vol.37 B
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
25
-
-
0032190415
-
Molecular dynamics simulations of human carbonic anhydrase II: Insight into experimental results and the role of solvation
-
(1998)
Proteins
, vol.33
, pp. 119-134
-
-
Lu, D.S.1
Voth, G.A.2
-
26
-
-
0000510540
-
Novel zinc protein molecular dynamics simulations: Steps toward antiangiogenesis for cancer treatment
-
(1999)
J Mol Model
, vol.5
, pp. 196-202
-
-
Pang, Y.P.1
-
29
-
-
0029633186
-
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
-
(1995)
Comput Phys Commun
, vol.91
, pp. 1-41
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham III, T.E.5
Debolt, S.6
Ferguson, D.7
Seibel, G.8
Kollman, P.A.9
-
32
-
-
0028318136
-
Farnesyltransferase inhibition causes morphological reversion of ras-transformed cells by a complex mechanism that involves regulation of the actin cytoskeleton
-
(1994)
Mol Cell Biol
, vol.14
, pp. 4193-4202
-
-
Prendergast, G.C.1
Davide, J.P.2
DeSolms, S.J.3
Giuliani, E.A.4
Graham, S.L.5
Gibbs, J.B.6
Oliff, A.7
Kohl, N.E.8
-
39
-
-
0028815118
-
Molecular dynamics simulations of alcohol dehydrogenase with a four- or five-coordinate catalytic zinc ion
-
(1995)
Proteins
, vol.21
, pp. 40-56
-
-
Ryde, U.1
-
40
-
-
0029919895
-
The coordination chemistry of the structural zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations
-
(1996)
Eur Biophys J
, vol.24
, pp. 213-221
-
-
Ryde, U.1
-
43
-
-
0033578085
-
Tricyclic farnesyl protein transferase inhibitors: Crystallographic and calorimetric studies of structure-activity relationships
-
(1999)
J Med Chem
, vol.42
, pp. 2125-2135
-
-
Strickland, C.L.1
Weber, P.C.2
Windsor, W.T.3
Wu, Z.4
Le, H.V.5
Albanese, M.M.6
Alvarez, C.S.7
Cesarz, D.8
Del Rosario, J.9
Deskus, J.10
-
44
-
-
0032564385
-
Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue
-
(1998)
Biochemistry
, vol.37
, pp. 16601-16611
-
-
Strickland, C.L.1
Windsor, W.T.2
Syto, R.3
Wang, L.4
Bond, R.5
Wu, Z.6
Schwartz, J.7
Le, H.V.8
Beese, L.S.9
Weber, P.C.10
-
47
-
-
0032949384
-
High-level expression, purification, kinetic characterization and crystallization of protein farnesyltransferase beta-subunit C-terminal mutants
-
(1999)
Protein Eng
, vol.12
, pp. 341-348
-
-
Wu, Z.1
Demma, M.2
Strickland, C.L.3
Syto, R.4
Le, H.V.5
Windsor, W.T.6
Weber, P.C.7
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