-
1
-
-
84878678656
-
-
J. Neural Transm. 2013, 120, 847 - 851
-
(2013)
J. Neural Transm.
, vol.120
, pp. 847-851
-
-
-
3
-
-
0013496095
-
The Distribution of Monoamine Oxidases A and B in Normal Human Brain
-
Lieberman, A. N. CRC Press: Boca Raton, FL, 1994
-
Westlund, K. N. The Distribution of Monoamine Oxidases A and B in Normal Human Brain. In Monoamine Oxidase Inhibitors in Neurological Diseases; Lieberman, A. N., Ed.; CRC Press: Boca Raton, FL, 1994,: 1994; pp 1-20.
-
(1994)
Monoamine Oxidase Inhibitors in Neurological Diseases
, pp. 1-20
-
-
Westlund, K.N.1
-
4
-
-
0015274536
-
Some Puzzling Pharmacological Effects of Monoamine Oxidase Inhibitors
-
Knoll, J.; Magyar, K. Some Puzzling Pharmacological Effects of Monoamine Oxidase Inhibitors Adv. Biochem. Psychopharmacol. 1972, 5, 393-408
-
(1972)
Adv. Biochem. Psychopharmacol.
, vol.5
, pp. 393-408
-
-
Knoll, J.1
Magyar, K.2
-
5
-
-
56249148894
-
Monoamine Oxidase Inhibitors: A Modern Guide to an Unrequited Class of Antidepressants
-
Stahl, S. M.; Felker, A. Monoamine Oxidase Inhibitors: A Modern Guide to an Unrequited Class of Antidepressants CNS Spectrosc. 2008, 13 (10) 855-870
-
(2008)
CNS Spectrosc.
, vol.13
, Issue.10
, pp. 855-870
-
-
Stahl, S.M.1
Felker, A.2
-
6
-
-
0017594522
-
Dopamine is a Monoamine Oxidase B Substrate in Man
-
Glover, V.; Sandler, M.; Owen, F.; Riley, G. J. Dopamine is a Monoamine Oxidase B Substrate in Man Nature 1977, 265 (5589) 80-81
-
(1977)
Nature
, vol.265
, Issue.5589
, pp. 80-81
-
-
Glover, V.1
Sandler, M.2
Owen, F.3
Riley, G.J.4
-
7
-
-
82055192229
-
Lights and Shadows on Monoamine Oxidase Inhibition in Neuroprotective Pharmacological Therapies
-
Binda, C.; Milczek, E. M.; Bonivento, D.; Wang, J.; Mattevi, A.; Edmondson, D. E. Lights and Shadows on Monoamine Oxidase Inhibition in Neuroprotective Pharmacological Therapies Curr. Top. Med. Chem. 2011, 11 (22) 2788-2796
-
(2011)
Curr. Top. Med. Chem.
, vol.11
, Issue.22
, pp. 2788-2796
-
-
Binda, C.1
Milczek, E.M.2
Bonivento, D.3
Wang, J.4
Mattevi, A.5
Edmondson, D.E.6
-
8
-
-
84893021427
-
Hydrogen Peroxide Produced by Mitochondrial Monoamine Oxidase Catalysis: Biological Implications
-
Edmondson, D. E. Hydrogen Peroxide Produced by Mitochondrial Monoamine Oxidase Catalysis: Biological Implications Curr. Pharm. Des. 2014, 20 (2) 155-160
-
(2014)
Curr. Pharm. Des.
, vol.20
, Issue.2
, pp. 155-160
-
-
Edmondson, D.E.1
-
10
-
-
66149173641
-
Molecular and Mechanistic Properties of the Membrane-bound Mitochondrial Monoamine Oxidases
-
Edmondson, D. E.; Binda, C.; Wang, J.; Upadhyay, A. K.; Mattevi, A. Molecular and Mechanistic Properties of the Membrane-bound Mitochondrial Monoamine Oxidases Biochemistry 2009, 48 (20) 4220-4230
-
(2009)
Biochemistry
, vol.48
, Issue.20
, pp. 4220-4230
-
-
Edmondson, D.E.1
Binda, C.2
Wang, J.3
Upadhyay, A.K.4
Mattevi, A.5
-
11
-
-
0001319451
-
Radical Ideas about Monoamine-Oxidase
-
Silverman, R. B. Radical Ideas About Monoamine-Oxidase Acc. Chem. Res. 1995, 28 (8) 335-342
-
(1995)
Acc. Chem. Res.
, vol.28
, Issue.8
, pp. 335-342
-
-
Silverman, R.B.1
-
12
-
-
84873727681
-
Structures and Mechanism of the Monoamine Oxidase Family
-
Gaweska, H.; Fitzpatrick, P. F. Structures and Mechanism of the Monoamine Oxidase Family Biomol. Concepts 2011, 2 (5) 365-377
-
(2011)
Biomol. Concepts
, vol.2
, Issue.5
, pp. 365-377
-
-
Gaweska, H.1
Fitzpatrick, P.F.2
-
13
-
-
32544432876
-
A Computational Study on the Amine Oxidation Mechanism of Monoamine Oxidase: Insight into the Polar Nucleophilic Mechanism
-
Erdem, S. S.; Karahan, O.; Yildiz, I.; Yelekci, K. A Computational Study on the Amine Oxidation Mechanism of Monoamine Oxidase: Insight Into the Polar Nucleophilic Mechanism Org. Biomol. Chem. 2006, 4 (4) 646-658
-
(2006)
Org. Biomol. Chem.
, vol.4
, Issue.4
, pp. 646-658
-
-
Erdem, S.S.1
Karahan, O.2
Yildiz, I.3
Yelekci, K.4
-
14
-
-
34250862303
-
The Aromatic Cage in the Active Site of Monoamine Oxidase B: Effect on the Structural and Electronic Properties of Bound Benzylamine and p-Nitrobenzylamine
-
Akyuz, M. A.; Erdem, S. S.; Edmondson, D. E. The Aromatic Cage in the Active Site of Monoamine Oxidase B: Effect on the Structural and Electronic Properties of Bound Benzylamine and p-Nitrobenzylamine J. Neural Transm. 2007, 114 (6) 693-698
-
(2007)
J. Neural Transm.
, vol.114
, Issue.6
, pp. 693-698
-
-
Akyuz, M.A.1
Erdem, S.S.2
Edmondson, D.E.3
-
15
-
-
80051667006
-
Computational Investigation on the Structure-Activity Relationship of the Biradical Mechanism for Monoamine Oxidase
-
Erdem, S. S.; Buyukmenekse, B. Computational Investigation on the Structure-Activity Relationship of the Biradical Mechanism for Monoamine Oxidase J. Neural Transm. 2011, 118 (7) 1021-1029
-
(2011)
J. Neural Transm.
, vol.118
, Issue.7
, pp. 1021-1029
-
-
Erdem, S.S.1
Buyukmenekse, B.2
-
16
-
-
84888580112
-
Reaction Mechanism of Monoamine Oxidase from QM/MM Calculations
-
Abad, E.; Zenn, R. K.; Kastner, J. Reaction Mechanism of Monoamine Oxidase from QM/MM Calculations J. Phys. Chem. B 2013, 117, 14238-14246
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 14238-14246
-
-
Abad, E.1
Zenn, R.K.2
Kastner, J.3
-
17
-
-
84870616612
-
How are Biogenic Amines Metabolized by Monoamine Oxidases?
-
Vianello, R.; Repič, M.; Mavri, J. How are Biogenic Amines Metabolized by Monoamine Oxidases? Eur. J. Org. Chem. 2012, 2012 (36) 7057-7065
-
(2012)
Eur. J. Org. Chem.
, vol.2012
, Issue.36
, pp. 7057-7065
-
-
Vianello, R.1
Repič, M.2
Mavri, J.3
-
18
-
-
0033550070
-
Structure-Activity Relationships in the Oxidation of Para-substituted Benzylamine Analogues by Recombinant Human Liver Monoamine Oxidase A
-
Miller, J. R.; Edmondson, D. E. Structure-Activity Relationships in the Oxidation of Para-substituted Benzylamine Analogues by Recombinant Human Liver Monoamine Oxidase A Biochemistry 1999, 38 (41) 13670-13683
-
(1999)
Biochemistry
, vol.38
, Issue.41
, pp. 13670-13683
-
-
Miller, J.R.1
Edmondson, D.E.2
-
19
-
-
0028278443
-
Structure-Activity Relationships in the Oxidation of Benzylamine Analogues by Bovine Liver Mitochondrial Monoamine Oxidase B
-
Walker, M. C.; Edmondson, D. E. Structure-Activity Relationships in the Oxidation of Benzylamine Analogues by Bovine Liver Mitochondrial Monoamine Oxidase B Biochemistry 1994, 33 (23) 7088-7098
-
(1994)
Biochemistry
, vol.33
, Issue.23
, pp. 7088-7098
-
-
Walker, M.C.1
Edmondson, D.E.2
-
20
-
-
84878678656
-
Do MAO A and MAO B Utilize the Same Mechanism for the C-H Bond Cleavage Step in Catalysis? Evidence Suggesting Differing Mechanisms
-
Orru, R.; Aldeco, M.; Edmondson, D. E. Do MAO A and MAO B Utilize the Same Mechanism for the C-H Bond Cleavage Step in Catalysis? Evidence Suggesting Differing Mechanisms J. Neural Transm. 2013, 120 (6) 847-851
-
(2013)
J. Neural Transm.
, vol.120
, Issue.6
, pp. 847-851
-
-
Orru, R.1
Aldeco, M.2
Edmondson, D.E.3
-
21
-
-
84878728510
-
Computational Modeling of the Direct Hydride Transfer Mechanism for the MAO Catalyzed Oxidation of Phenethylamine and Benzylamine: ONIOM (QM/QM) Calculations
-
Akyuz, M. A.; Erdem, S. S. Computational Modeling of the Direct Hydride Transfer Mechanism for the MAO Catalyzed Oxidation of Phenethylamine and Benzylamine: ONIOM (QM/QM) Calculations J. Neural Transm. 2013, 120 (6) 937-945
-
(2013)
J. Neural Transm.
, vol.120
, Issue.6
, pp. 937-945
-
-
Akyuz, M.A.1
Erdem, S.S.2
-
22
-
-
84885634623
-
A Comparative Computational Investigation on the Proton and Hydride Transfer Mechanisms of Monoamine Oxidase Using Model Molecules
-
Atalay, V. E.; Erdem, S. S. A Comparative Computational Investigation on the Proton and Hydride Transfer Mechanisms of Monoamine Oxidase Using Model Molecules Comp. Biol. Chem. 2013, 47, 181-191
-
(2013)
Comp. Biol. Chem.
, vol.47
, pp. 181-191
-
-
Atalay, V.E.1
Erdem, S.S.2
-
24
-
-
0034610398
-
Remarkable Rate Enhancement of Orotidine 5 ′-Monophosphate Decarboxylase is Due to Transition-State Stabilization Rather Than to Ground-State Destabilization
-
Warshel, A.; Strajbl, M.; Villa, J.; Florian, J. Remarkable Rate Enhancement of Orotidine 5 ′-Monophosphate Decarboxylase is Due to Transition-State Stabilization Rather Than to Ground-State Destabilization Biochemistry 2000, 39 (48) 14728-14738
-
(2000)
Biochemistry
, vol.39
, Issue.48
, pp. 14728-14738
-
-
Warshel, A.1
Strajbl, M.2
Villa, J.3
Florian, J.4
-
25
-
-
80052149070
-
Catalysis by Dihydrofolate Reductase and Other Enzymes Arises from Electrostatic Preorganization, not Conformational Motions
-
Adamczyk, A. J.; Cao, J.; Kamerlin, S. C.; Warshel, A. Catalysis by Dihydrofolate Reductase and Other Enzymes Arises from Electrostatic Preorganization, not Conformational Motions Proc. Natl. Acad. Sci. U.S.A. 2011, 108 (34) 14115-14120
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, Issue.34
, pp. 14115-14120
-
-
Adamczyk, A.J.1
Cao, J.2
Kamerlin, S.C.3
Warshel, A.4
-
26
-
-
33748633480
-
Electrostatic Basis for Enzyme Catalysis
-
Warshel, A.; Sharma, P. K.; Kato, M.; Xiang, Y.; Liu, H.; Olsson, M. H. Electrostatic Basis for Enzyme Catalysis Chem. Rev. 2006, 106 (8) 3210-3235
-
(2006)
Chem. Rev.
, vol.106
, Issue.8
, pp. 3210-3235
-
-
Warshel, A.1
Sharma, P.K.2
Kato, M.3
Xiang, Y.4
Liu, H.5
Olsson, M.H.6
-
27
-
-
0000230329
-
Energetics of Enzyme Catalysis
-
Warshel, A. Energetics of Enzyme Catalysis Proc. Natl. Acad. Sci. U.S.A. 1978, 75 (11) 5250-5254
-
(1978)
Proc. Natl. Acad. Sci. U.S.A.
, vol.75
, Issue.11
, pp. 5250-5254
-
-
Warshel, A.1
-
28
-
-
33645947962
-
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins
-
Li, M.; Binda, C.; Mattevi, A.; Edmondson, D. E. Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry 2006, 45 (15) 4775-4784
-
(2006)
Biochemistry
, vol.45
, Issue.15
, pp. 4775-4784
-
-
Li, M.1
Binda, C.2
Mattevi, A.3
Edmondson, D.E.4
-
30
-
-
0032453536
-
Theoretical Calculations of Acid-Dissociation Constants of Proteins
-
Juffer, A. H. Theoretical Calculations of Acid-Dissociation Constants of Proteins Biochim. Biol. Cell. 1998, 76 (2-3) 198-209
-
(1998)
Biochim. Biol. Cell.
, vol.76
, Issue.23
, pp. 198-209
-
-
Juffer, A.H.1
-
31
-
-
82755171341
-
The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition
-
Milczek, E. M.; Binda, C.; Rovida, S.; Mattevi, A.; Edmondson, D. E. The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition FEBS J. 2011, 278 (24) 4860-4869
-
(2011)
FEBS J.
, vol.278
, Issue.24
, pp. 4860-4869
-
-
Milczek, E.M.1
Binda, C.2
Rovida, S.3
Mattevi, A.4
Edmondson, D.E.5
-
32
-
-
85044699044
-
Mechanistic Study of Monoamine Oxidase: Significance for MAO A and MAO B in situ
-
Ramsay, R. R. Mechanistic Study of Monoamine Oxidase: Significance for MAO A and MAO B in situ Vop. Med. Khim. 1997, 43 (6) 457-470
-
(1997)
Vop. Med. Khim.
, vol.43
, Issue.6
, pp. 457-470
-
-
Ramsay, R.R.1
-
33
-
-
36048982476
-
Methylene Blue and Serotonin Toxicity: Inhibition of Monoamine Oxidase A (MAO A) Confirms a Theoretical Prediction
-
Ramsay, R. R.; Dunford, C.; Gillman, P. K. Methylene Blue and Serotonin Toxicity: Inhibition of Monoamine Oxidase A (MAO A) Confirms a Theoretical Prediction Br. J. Pharmacol. 2007, 152 (6) 946-951
-
(2007)
Br. J. Pharmacol.
, vol.152
, Issue.6
, pp. 946-951
-
-
Ramsay, R.R.1
Dunford, C.2
Gillman, P.K.3
-
34
-
-
0023269366
-
Stopped-Flow Studies on the Mechanism of Oxidation of N-methyl-4-phenyltetrahydropyridine by Bovine Liver Monoamine Oxidase B
-
Ramsay, R. R.; Koerber, S. C.; Singer, T. P. Stopped-Flow Studies on the Mechanism of Oxidation of N-methyl-4-phenyltetrahydropyridine by Bovine Liver Monoamine Oxidase B Biochemistry 1987, 26 (11) 3045-3050
-
(1987)
Biochemistry
, vol.26
, Issue.11
, pp. 3045-3050
-
-
Ramsay, R.R.1
Koerber, S.C.2
Singer, T.P.3
-
35
-
-
0031596694
-
Substrate Regulation of Monoamine Oxidases
-
Ramsay, R. R. Substrate Regulation of Monoamine Oxidases J. Neural Trans.-Suppl. 1998, 52, 139-147
-
(1998)
J. Neural Trans.-Suppl.
, vol.52
, pp. 139-147
-
-
Ramsay, R.R.1
-
36
-
-
66449098496
-
Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models
-
Kamerlin, S. C.; Haranczyk, M.; Warshel, A. Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models ChemPhysChem 2009, 10 (7) 1125-1134
-
(2009)
ChemPhysChem
, vol.10
, Issue.7
, pp. 1125-1134
-
-
Kamerlin, S.C.1
Haranczyk, M.2
Warshel, A.3
-
37
-
-
0036001159
-
a Values of Catalytic Groups in Enzyme Active Sites
-
a Values of Catalytic Groups in Enzyme Active Sites IUBMB Life 2002, 53 (2) 85-98
-
(2002)
IUBMB Life
, vol.53
, Issue.2
, pp. 85-98
-
-
Harris, T.K.1
Turner, G.J.2
-
38
-
-
33745685012
-
Using a Charging Coordinate in Studies of Ionization Induced Partial Unfolding
-
Kato, M.; Warshel, A. Using a Charging Coordinate in Studies of Ionization Induced Partial Unfolding J. Phys. Chem. B 2006, 110 (23) 11566-11570
-
(2006)
J. Phys. Chem. B
, vol.110
, Issue.23
, pp. 11566-11570
-
-
Kato, M.1
Warshel, A.2
-
40
-
-
24644437716
-
Three-Dimensional Structure of Human Monoamine Oxidase A (MAO A): Relation to the Structures of Rat MAO A and Human MAO B
-
De Colibus, L.; Li, M.; Binda, C.; Lustig, A.; Edmondson, D. E.; Mattevi, A. Three-Dimensional Structure of Human Monoamine Oxidase A (MAO A): Relation to the Structures of Rat MAO A and Human MAO B Proc. Natl. Acad. Sci. U.S.A. 2005, 102 (36) 12684-12689
-
(2005)
Proc. Natl. Acad. Sci. U.S.A.
, vol.102
, Issue.36
, pp. 12684-12689
-
-
De Colibus, L.1
Li, M.2
Binda, C.3
Lustig, A.4
Edmondson, D.E.5
Mattevi, A.6
-
41
-
-
1942436240
-
Crystal Structure of Human Monoamine Oxidase B, a Drug Target Enzyme Monotopically Inserted into the Mitochondrial Outer Membrane
-
Binda, C.; Hubalek, F.; Li, M.; Edmondson, D. E.; Mattevi, A. Crystal Structure of Human Monoamine Oxidase B, a Drug Target Enzyme Monotopically Inserted Into the Mitochondrial Outer Membrane FEBS Lett. 2004, 564 (3) 225-228
-
(2004)
FEBS Lett.
, vol.564
, Issue.3
, pp. 225-228
-
-
Binda, C.1
Hubalek, F.2
Li, M.3
Edmondson, D.E.4
Mattevi, A.5
-
42
-
-
44449117421
-
Structure of Human Monoamine Oxidase A at 2.2-A Resolution: The Control of Opening the Entry for Substrates/Inhibitors
-
Son, S. Y.; Ma, J.; Kondou, Y.; Yoshimura, M.; Yamashita, E.; Tsukihara, T. Structure of Human Monoamine Oxidase A at 2.2-A Resolution: the Control of Opening the Entry for Substrates/Inhibitors Proc. Natl. Acad. Sci. U.S.A. 2008, 105 (15) 5739-5744
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, Issue.15
, pp. 5739-5744
-
-
Son, S.Y.1
Ma, J.2
Kondou, Y.3
Yoshimura, M.4
Yamashita, E.5
Tsukihara, T.6
-
43
-
-
78049530845
-
Potentiation of Ligand Binding Through Cooperative Effects in Monoamine Oxidase B
-
Bonivento, D.; Milczek, E. M.; McDonald, G. R.; Binda, C.; Holt, A.; Edmondson, D. E.; Mattevi, A. Potentiation of Ligand Binding Through Cooperative Effects in Monoamine Oxidase B J. Biol. Chem. 2010, 285 (47) 36849-36856
-
(2010)
J. Biol. Chem.
, vol.285
, Issue.47
, pp. 36849-36856
-
-
Bonivento, D.1
Milczek, E.M.2
McDonald, G.R.3
Binda, C.4
Holt, A.5
Edmondson, D.E.6
Mattevi, A.7
-
44
-
-
4444221565
-
UCSF Chimera - A Visualization System for Exploratory Research and Analysis
-
Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. UCSF Chimera-A Visualization System for Exploratory Research and Analysis J. Comput. Chem. 2004, 25 (13) 1605-1612
-
(2004)
J. Comput. Chem.
, vol.25
, Issue.13
, pp. 1605-1612
-
-
Pettersen, E.F.1
Goddard, T.D.2
Huang, C.C.3
Couch, G.S.4
Greenblatt, D.M.5
Meng, E.C.6
Ferrin, T.E.7
-
45
-
-
0026596911
-
Calculations of Antibody-Antigen Interactions: Microscopic and Semi-Microscopic Evaluation of the Free Energies of Binding of Phosphorylcholine Analogs to McPC603
-
Lee, F. S.; Chu, Z. T.; Bolger, M. B.; Warshel, A. Calculations of Antibody-Antigen Interactions: Microscopic and Semi-Microscopic Evaluation of the Free Energies of Binding of Phosphorylcholine Analogs to McPC603 Protein Eng. 1992, 5 (3) 215-228
-
(1992)
Protein Eng.
, vol.5
, Issue.3
, pp. 215-228
-
-
Lee, F.S.1
Chu, Z.T.2
Bolger, M.B.3
Warshel, A.4
-
46
-
-
0342321950
-
Examining Methods for Calculations of Binding Free Energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA Calculations of Ligands Binding to an HIV Protease
-
Sham, Y. Y.; Chu, Z. T.; Tao, H.; Warshel, A. Examining Methods for Calculations of Binding Free Energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA Calculations of Ligands Binding to an HIV Protease Proteins 2000, 39 (4) 393-407
-
(2000)
Proteins
, vol.39
, Issue.4
, pp. 393-407
-
-
Sham, Y.Y.1
Chu, Z.T.2
Tao, H.3
Warshel, A.4
-
47
-
-
70450206724
-
-
Revision A; Gaussian Inc. Wallingford, CT.
-
Gaussian 09, Revision A; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A., Gaussian Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
48
-
-
33748456949
-
The Barrier for Proton Transport in Aquaporins as a Challenge for Electrostatic Models: The Role of Protein Relaxation in Mutational Calculations
-
Kato, M.; Pisliakov, A. V.; Warshel, A. The Barrier for Proton Transport in Aquaporins as a Challenge for Electrostatic Models: The Role of Protein Relaxation in Mutational Calculations Proteins 2006, 64 (4) 829-844
-
(2006)
Proteins
, vol.64
, Issue.4
, pp. 829-844
-
-
Kato, M.1
Pisliakov, A.V.2
Warshel, A.3
-
49
-
-
0027012925
-
Computer Simulations of Enzymatic Reactions: Examination of Linear Free-Energy Relationships and Quantum-Mechanical Corrections in the Initial Proton-Transfer Step of Carbonic Anhydrase
-
Warshel, A.; Hwang, J. K.; Aqvist, J. Computer Simulations of Enzymatic Reactions: Examination of Linear Free-Energy Relationships and Quantum-Mechanical Corrections in the Initial Proton-Transfer Step of Carbonic Anhydrase Faraday Discuss. 1992, 93, 225-238
-
(1992)
Faraday Discuss.
, vol.93
, pp. 225-238
-
-
Warshel, A.1
Hwang, J.K.2
Aqvist, J.3
-
50
-
-
0023060081
-
Free Energy of Charges in Solvated Proteins: Microscopic Calculations Using a Reversible Charging Process
-
Warshel, A.; Sussman, F.; King, G. Free Energy of Charges in Solvated Proteins: Microscopic Calculations Using a Reversible Charging Process Biochemistry 1986, 25 (26) 8368-8372
-
(1986)
Biochemistry
, vol.25
, Issue.26
, pp. 8368-8372
-
-
Warshel, A.1
Sussman, F.2
King, G.3
-
51
-
-
0001819524
-
Polarization Constraints in Molecular Dynamics Simulation of Aqueous Solutions: The Surface Constraint All Atom Solvent (SCAAS) Model
-
Warshel, A.; King, G. Polarization Constraints in Molecular Dynamics Simulation of Aqueous Solutions: The Surface Constraint All Atom Solvent (SCAAS) Model Chem. Phys. Lett. 1985, 121 (1-2) 124-129
-
(1985)
Chem. Phys. Lett.
, vol.121
, Issue.12
, pp. 124-129
-
-
Warshel, A.1
King, G.2
-
52
-
-
0035451052
-
What are the Dielectric "constants" of Proteins and How to Validate Electrostatic Models?
-
Schutz, C. N.; Warshel, A. What are the Dielectric "Constants" of Proteins and How to Validate Electrostatic Models? Proteins 2001, 44 (4) 400-417
-
(2001)
Proteins
, vol.44
, Issue.4
, pp. 400-417
-
-
Schutz, C.N.1
Warshel, A.2
-
53
-
-
0000728542
-
Microscopic and Semimicroscopic Calculations of Electrostatic Energies in Proteins by the POLARIS and ENZYMIX Programs
-
Lee, F. S.; Chu, Z. T.; Warshel, A. Microscopic and Semimicroscopic Calculations of Electrostatic Energies in Proteins by the POLARIS and ENZYMIX Programs J. Comput. Chem. 1993, 14 (2) 161-185
-
(1993)
J. Comput. Chem.
, vol.14
, Issue.2
, pp. 161-185
-
-
Lee, F.S.1
Chu, Z.T.2
Warshel, A.3
-
54
-
-
34250811635
-
Variations in Activity and Inhibition with pH: The Protonated Amine is the Substrate for Monoamine Oxidase, but Uncharged Inhibitors Bind Better
-
Jones, T. Z.; Balsa, D.; Unzeta, M.; Ramsay, R. R. Variations in Activity and Inhibition with pH: the Protonated Amine is the Substrate for Monoamine Oxidase, but Uncharged Inhibitors Bind Better J. Neural Trans. 2007, 114 (6) 707-712
-
(2007)
J. Neural Trans.
, vol.114
, Issue.6
, pp. 707-712
-
-
Jones, T.Z.1
Balsa, D.2
Unzeta, M.3
Ramsay, R.R.4
-
55
-
-
80052245133
-
(2)H Kinetic Isotope Effects and pH Dependence of Catalysis as Mechanistic Probes of Rat Monoamine Oxidase A: Comparisons with the Human Enzyme
-
Wang, J.; Edmondson, D. E. (2)H Kinetic Isotope Effects and pH Dependence of Catalysis as Mechanistic Probes of Rat Monoamine Oxidase A: Comparisons with the Human Enzyme Biochemistry 2011, 50 (35) 7710-7717
-
(2011)
Biochemistry
, vol.50
, Issue.35
, pp. 7710-7717
-
-
Wang, J.1
Edmondson, D.E.2
-
56
-
-
84962450020
-
How Much do Enzymes Really Gain by Restraining Their Reacting Fragments?
-
Shurki, A.; Strajbl, M.; Villa, J.; Warshel, A. How Much do Enzymes Really Gain by Restraining Their Reacting Fragments? J. Am. Chem. Soc. 2002, 124 (15) 4097-4107
-
(2002)
J. Am. Chem. Soc.
, vol.124
, Issue.15
, pp. 4097-4107
-
-
Shurki, A.1
Strajbl, M.2
Villa, J.3
Warshel, A.4
-
57
-
-
0034660370
-
Evidence for Alternative Binding Modes in the Interaction of Benzylamine Analogues with Bovine Liver Monoamine Oxidase B
-
Edmondson, D. E.; Bhattacharrya, A. K.; Xu, J. Evidence for Alternative Binding Modes in the Interaction of Benzylamine Analogues with Bovine Liver Monoamine Oxidase B Biochim. Biophys. Acta 2000, 1479 (1-2) 52-58
-
(2000)
Biochim. Biophys. Acta
, vol.1479
, Issue.12
, pp. 52-58
-
-
Edmondson, D.E.1
Bhattacharrya, A.K.2
Xu, J.3
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