-
2
-
-
0023837924
-
Simulation of the diffusion-controlled reaction between superoxide and superoxide dismutase II: Detailed models
-
Allison SA, Bacquet RJ, McCammon JA (1998) Simulation of the diffusion-controlled reaction between superoxide and superoxide dismutase II: detailed models. Biopolymers 27:251-269
-
(1998)
Biopolymers
, vol.27
, pp. 251-269
-
-
Allison, S.A.1
Bacquet, R.J.2
McCammon, J.A.3
-
3
-
-
84866395677
-
Novel GABAAT inhibitors: QSAR and docking based virtual screening of phenyl-substituted b-phenyl ethylidene hydrazine analogs
-
Bansal SK, Sinha BN, Khosa RL, Olson AJ (2010a) Novel GABAAT inhibitors: QSAR and docking based virtual screening of phenyl-substituted b-phenyl ethylidene hydrazine analogs. Med Chem Res 19:S114
-
(2010)
Med Chem Res
, vol.19
-
-
Bansal, S.K.1
Sinha, B.N.2
Khosa, R.L.3
Olson, A.J.4
-
4
-
-
84856226862
-
Novel GABAAT inhibitors: QSAR and docking based virtual screening of phenyl-substituted b-phenyl ethylidene hydrazine analogs
-
doi:10.1007/s00044-010-9390-6
-
Bansal SK, Sinha BN, Khosa RL, Olson AJ (2010b) Novel GABAAT inhibitors: QSAR and docking based virtual screening of phenyl-substituted b-phenyl ethylidene hydrazine analogs. Med Chem Res. doi:10.1007/s00044-010-9390-6
-
(2010)
Med Chem Res
-
-
Bansal, S.K.1
Sinha, B.N.2
Khosa, R.L.3
Olson, A.J.4
-
5
-
-
80052036339
-
QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: KNN-MFA based 3DQSAR model for phenyl-substituted analogs of b-phenylethylidene hydrazine
-
Bansal SK, Sinha BN, Khosa RL (2011) QSAR and docking-based computational chemistry approach to novel GABA-AT inhibitors: kNN-MFA based 3DQSAR model for phenyl-substituted analogs of b-phenylethylidene hydrazine. Med Chem Res 20: 549-553
-
(2011)
Med Chem Res
, vol.20
, pp. 549-553
-
-
Bansal, S.K.1
Sinha, B.N.2
Khosa, R.L.3
-
6
-
-
21244479779
-
Unveiling the full potential of flexible receptor docking using multiple crystallographic structures
-
Barril X, Morley SD (2005) Unveiling the full potential of flexible receptor docking using multiple crystallographic structures. J Med Chem 48:4432-4443
-
(2005)
J Med Chem
, vol.48
, pp. 4432-4443
-
-
Barril, X.1
Morley, S.D.2
-
7
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges
-
Gasteiger J, Marsili M (1980) Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges. Tetrahedron 36:3219-3228
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
-
8
-
-
0021871375
-
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
-
Goodford PJ (1985) A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. J Med Chem 28:849-857
-
(1985)
J Med Chem
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
9
-
-
0025135112
-
Automated docking of substrates to proteins by simulated annealing
-
Goodsell DS, Olson AJ (1990) Automated docking of substrates to proteins by simulated annealing. Proteins Struct Funct Genet 8:195-202
-
(1990)
Proteins Struct Funct Genet
, vol.8
, pp. 195-202
-
-
Goodsell, D.S.1
Olson, A.J.2
-
10
-
-
33846212271
-
Comparison of shape matching and docking as virtual screening tools
-
Hawkins PCD, Skillman AG, Nicholls A (2007) Comparison of shape matching and docking as virtual screening tools. J Med Chem 50:74-82
-
(2007)
J Med Chem
, vol.50
, pp. 74-82
-
-
Hawkins, P.C.D.1
Skillman, A.G.2
Nicholls, A.3
-
11
-
-
0016201652
-
Effect of the convulsive agent 3-mercaptopropionic acid on the levels of GABA, other amino acids and glutamate decarboxylase in different regions of the rat brain
-
Karlsson A, Fonnum F, Malthe-Sørenssen D, Storm-Mathisen J (1974) Effect of the convulsive agent 3-mercaptopropionic acid on the levels of GABA, other amino acids and glutamate decarboxylase in different regions of the rat brain. J Biochem Pharmacol 23:3053-3061
-
(1974)
J Biochem Pharmacol
, vol.23
, pp. 3053-3061
-
-
Karlsson, A.1
Fonnum, F.2
Malthe-Sørenssen, D.3
Storm-Mathisen, J.4
-
12
-
-
0019839152
-
Gamma aminobutyric acid agonists, antagonists, and uptake inhibitors: Design and therapeutic aspects
-
Krogsgaard-Larsen P (1981) Gamma aminobutyric acid agonists, antagonists, and uptake inhibitors: design and therapeutic aspects. J Med Chem 24:1377-1383
-
(1981)
J Med Chem
, vol.24
, pp. 1377-1383
-
-
Krogsgaard-Larsen, P.1
-
13
-
-
0026730489
-
Structure-based strategies for drug design and discovery
-
Kuntz ID (1992) Structure-based strategies for drug design and discovery. Science 257:1078-1082
-
(1992)
Science
, vol.257
, pp. 1078-1082
-
-
Kuntz, I.D.1
-
14
-
-
0026774619
-
Brain 4-aminobutyrate aminotransferase: Isolation and sequence of a cDNA encoding the enzyme
-
Kwon OS, Park J, Churchich JE (1992) Brain 4-aminobutyrate aminotransferase: isolation and sequence of a cDNA encoding the enzyme. J Biol Chem 267:7215-7216
-
(1992)
J Biol Chem
, vol.267
, pp. 7215-7216
-
-
Kwon, O.S.1
Park, J.2
Churchich, J.E.3
-
15
-
-
78651235334
-
Computer aided drug design platform using PyMOL
-
Lill MA, Danielson ML (2011) Computer aided drug design platform using PyMOL. J Comput Aided Mol Des 25:13-19
-
(2011)
J Comput Aided Mol des
, vol.25
, pp. 13-19
-
-
Lill, M.A.1
Danielson, M.L.2
-
16
-
-
0030203710
-
Distributed automated docking of flexible ligands to proteins: Parallel applications of autodock 2.4
-
Morris GM, Goodsell DS, Huey R, Olson AJ (1996) Distributed automated docking of flexible ligands to proteins: parallel applications of autodock 2.4. J Comput Aided Mol Des 10: 293-304
-
(1996)
J Comput Aided Mol des
, vol.10
, pp. 293-304
-
-
Morris, G.M.1
Goodsell, D.S.2
Huey, R.3
Olson, A.J.4
-
17
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function
-
Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ (1998) Automated docking using a Lamarckian genetic algorithm and empirical binding free energy function. J Comput Chem 19:1639-1662
-
(1998)
J Comput Chem
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
20
-
-
0023364022
-
Computer simulations of the diffusion of a substrate to an active site of an enzyme
-
Sharp K, Fine R, Honig B (1987) Computer simulations of the diffusion of a substrate to an active site of an enzyme. Science 236:460-1463
-
(1987)
Science
, vol.236
, pp. 460-1463
-
-
Sharp, K.1
Fine, R.2
Honig, B.3
-
21
-
-
43549118378
-
Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase
-
Silverman RB, Clift MD (2008) Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase. Bioorg Med Chem Lett 18:3122-3125
-
(2008)
Bioorg Med Chem Lett
, vol.18
, pp. 3122-3125
-
-
Silverman, R.B.1
Clift, M.D.2
-
22
-
-
0022872451
-
4-Amino-2-(substituted methyl)-2-butenoic acids: Substrates and potent inhibitors of gamma aminobutyric acid aminotransferase
-
Silverman RB, Durkee SC, Invergo BJ (1986) 4-Amino-2-(substituted methyl)-2-butenoic acids: substrates and potent inhibitors of gamma aminobutyric acid aminotransferase. J Med Chem 29: 764-770
-
(1986)
J Med Chem
, vol.29
, pp. 764-770
-
-
Silverman, R.B.1
Durkee, S.C.2
Invergo, B.J.3
-
23
-
-
1542577769
-
Methodological approaches for the study of GABAA receptor pharmacology and functional responses
-
Smith AJ, Simpson PB (2003) Methodological approaches for the study of GABAA receptor pharmacology and functional responses. Anal Bioanal Chem 377:843-851
-
(2003)
Anal Bioanal Chem
, vol.377
, pp. 843-851
-
-
Smith, A.J.1
Simpson, P.B.2
-
24
-
-
0019525292
-
Minimization by random search techniques
-
Solis FJ, Wets RJ-B (1981) Minimization by random search techniques. Math Oper Res 6:19-30
-
(1981)
Math Oper Res
, vol.6
, pp. 19-30
-
-
Solis, F.J.1
Wets, R.J.-B.2
-
25
-
-
20444500516
-
Design and biological evaluation of phenyl substituted analogs of b-phenyl ethylidene hydrazine
-
Sowa B, Rauw G, Davood A, Fassihi A, Knaus EE, Baker GB (2005) Design and biological evaluation of phenyl substituted analogs of b-phenyl ethylidene hydrazine. Bioorg Med Chem 13:4389-4395
-
(2005)
Bioorg Med Chem
, vol.13
, pp. 4389-4395
-
-
Sowa, B.1
Rauw, G.2
Davood, A.3
Fassihi, A.4
Knaus, E.E.5
Baker, G.B.6
-
26
-
-
0033529338
-
Crystal structure of GABA aminotransferase, a target for antiepileptic drug therapy
-
Storici P, Capitani G, Baise DD, Moser M, John RA, Jansonius JN, Schirmer T (1999) Crystal structure of GABA aminotransferase, a target for antiepileptic drug therapy. Biochemistry 38:8628-8634
-
(1999)
Biochemistry
, vol.38
, pp. 8628-8634
-
-
Storici, P.1
Capitani, G.2
Baise, D.D.3
Moser, M.4
John, R.A.5
Jansonius, J.N.6
Schirmer, T.7
-
27
-
-
0347052772
-
Structure of c-amino butyric acid (GABA) aminotransferase, a pyridoxal 50-phosphate, and [2Fe-2S] cluster-containing enzyme, complexed with c-ethynyl- GABA and with the antiepilepsy drug vigabatrin
-
Storici P, Baise DD, Bossa F, Bruno S, Mozzarelli A, Peneff C, Silverman RB, Schirmer T (2005) Structure of c-amino butyric acid (GABA) aminotransferase, a pyridoxal 50-phosphate, and [2Fe-2S] cluster-containing enzyme, complexed with c-ethynyl- GABA and with the antiepilepsy drug vigabatrin. J Biol Chem 279:363-373
-
(2005)
J Biol Chem
, vol.279
, pp. 363-373
-
-
Storici, P.1
Baise, D.D.2
Bossa, F.3
Bruno, S.4
Mozzarelli, A.5
Peneff, C.6
Silverman, R.B.7
Schirmer, T.8
-
29
-
-
0028783806
-
Active site model for c-amino butyrate aminotransferase explains substrate specificity and inhibitor reactivities
-
Toney MD, Pascarella S, Baise DD (1995) Active site model for c-amino butyrate aminotransferase explains substrate specificity and inhibitor reactivities. Protein Sci 4:2226-2374
-
(1995)
Protein Sci
, vol.4
, pp. 2226-2374
-
-
Toney, M.D.1
Pascarella, S.2
Baise, D.D.3
-
30
-
-
0021757436
-
New force field for molecular mechanical simulation of nucleic acid and proteins
-
Weiner SJ, Kollman PA, Case DA, Singh UC, Ghio C, Alagona G, Profeta S, Weiner PA (1984) New force field for molecular mechanical simulation of nucleic acid and proteins. J Am Chem Soc 106:765-784
-
(1984)
J Am Chem Soc
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.7
Weiner, P.A.8
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