-
1
-
-
0141499408
-
Modeling biotransformation reactions by combined quantum mechanical/molecular mechanical approaches: From structure to activity
-
Ridder L., Mulholland A.J. Modeling biotransformation reactions by combined quantum mechanical/molecular mechanical approaches: From structure to activity Curr. Top. Med. Chem. 3 2003 1241 1256
-
(2003)
Curr. Top. Med. Chem.
, vol.3
, pp. 1241-1256
-
-
Ridder, L.1
Mulholland, A.J.2
-
2
-
-
0141791128
-
Cytochrome P450 enzyme polymorphisms and adverse drug reactions
-
Pirmohamed M., Park B.K. Cytochrome P450 enzyme polymorphisms and adverse drug reactions Toxicology 192 2003 23 32
-
(2003)
Toxicology
, vol.192
, pp. 23-32
-
-
Pirmohamed, M.1
Park, B.K.2
-
3
-
-
0344236096
-
Aromatic hydroxylation by cytochrome P450: Model calculations of mechanism and substituent effects
-
Bathelt C.M. Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects J. Am. Chem. Soc. 125 2003 15004 15005
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 15004-15005
-
-
Bathelt, C.M.1
-
4
-
-
8344222648
-
Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450
-
Bathelt C.M. Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450 Org. Biomol. Chem. 2 2004 2998 3005
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 2998-3005
-
-
Bathelt, C.M.1
-
5
-
-
0037151638
-
Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide 124
-
Ridder L. Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide 124 J. Am. Chem. Soc. 124 2002 9926 9936
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9926-9936
-
-
Ridder, L.1
-
8
-
-
0346726109
-
How enzymes work: Analysis by modern rate theory and computer simulations
-
Garcia-Viloca M. How enzymes work: analysis by modern rate theory and computer simulations Science 303 2004 186 195
-
(2004)
Science
, vol.303
, pp. 186-195
-
-
Garcia-Viloca, M.1
-
9
-
-
0037079574
-
Simulating enzyme reactions: Challenges and perspectives
-
Field M.J. Simulating enzyme reactions: challenges and perspectives J. Comput. Chem. 23 2002 48 58
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 48-58
-
-
Field, M.J.1
-
10
-
-
84962477148
-
Structure/function correlations of proteins using MM, QM/MM, and related approaches: Methods, concepts, pitfalls, and current progress
-
Shurki A., Warshel A. Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress Adv. Protein Chem. 66 2003 249 313
-
(2003)
Adv. Protein Chem.
, vol.66
, pp. 249-313
-
-
Shurki, A.1
Warshel, A.2
-
11
-
-
85052927876
-
Quantum-mechanical/molecular-mechanical methods in medicinal chemistry
-
Carloni P. Alber F. Wiley-VCH
-
Perruccio F. Quantum-mechanical/molecular-mechanical methods in medicinal chemistry Carloni P. Alber F. Quantum Medicinal Chemistry 2003 Wiley-VCH 177 198
-
(2003)
Quantum Medicinal Chemistry
, pp. 177-198
-
-
Perruccio, F.1
-
12
-
-
1642410886
-
Theoretical insights in enzyme catalysis
-
Marti S. Theoretical insights in enzyme catalysis Chem. Soc. Rev. 33 2004 98 107
-
(2004)
Chem. Soc. Rev.
, vol.33
, pp. 98-107
-
-
Marti, S.1
-
13
-
-
12944292929
-
Protein structural transitions and their functional role
-
Karplus M. Protein structural transitions and their functional role Philos. Transact. A Math. Phys. Eng. Sci. 363 2005 331 355
-
(2005)
Philos. Transact. a Math. Phys. Eng. Sci.
, vol.363
, pp. 331-355
-
-
Karplus, M.1
-
14
-
-
9344245168
-
Solute solvent dynamics and energetics in enzyme catalysis: The SN2 reaction of dehalogenase as a general benchmark
-
Olsson M.H.M., Warshel A. Solute solvent dynamics and energetics in enzyme catalysis: The SN2 reaction of dehalogenase as a general benchmark J. Am. Chem. Soc. 126 2004 15167 15179
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 15167-15179
-
-
Olsson, M.H.M.1
Warshel, A.2
-
15
-
-
0033519723
-
Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase
-
Kohen A. Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase Nature 399 1999 496 499
-
(1999)
Nature
, vol.399
, pp. 496-499
-
-
Kohen, A.1
-
16
-
-
3042588230
-
Hydrogen tunneling in quinoproteins
-
Masgrau L. Hydrogen tunneling in quinoproteins Arch. Biochem. Biophys. 428 2004 41 51
-
(2004)
Arch. Biochem. Biophys.
, vol.428
, pp. 41-51
-
-
Masgrau, L.1
-
17
-
-
0038305457
-
Quantum chemical studies of radical-containing enzymes
-
Himo F., Siegbahn P.E.M. Quantum chemical studies of radical-containing enzymes Chem. Rev. 103 2003 2421 2456
-
(2003)
Chem. Rev.
, vol.103
, pp. 2421-2456
-
-
Himo, F.1
Siegbahn, P.E.M.2
-
18
-
-
0001499720
-
Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method
-
Van der Vaart A. Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method J. Comp. Chem. 21 2000 1494 1504
-
(2000)
J. Comp. Chem.
, vol.21
, pp. 1494-1504
-
-
Van Der Vaart, A.1
-
19
-
-
4043072686
-
Quantum descriptors for biological macromolecules from linear-scaling electronic structure methods
-
Khandogin J., York D.M. Quantum descriptors for biological macromolecules from linear-scaling electronic structure methods Proteins 56 2004 724 737
-
(2004)
Proteins
, vol.56
, pp. 724-737
-
-
Khandogin, J.1
York, D.M.2
-
20
-
-
0038013705
-
Insights into the regioselectivity and RNA-binding affinity of HIV-1 nucleocapsid protein from linear-scaling quantum methods
-
Khandogin J. Insights into the regioselectivity and RNA-binding affinity of HIV-1 nucleocapsid protein from linear-scaling quantum methods J. Mol. Biol. 330 2003 993 1004
-
(2003)
J. Mol. Biol.
, vol.330
, pp. 993-1004
-
-
Khandogin, J.1
-
21
-
-
0038016725
-
Influence of structural fluctuation on enzyme reaction energy barriers in combined quantum mechanical/molecular mechanical studies
-
Zhang Y.K. Influence of structural fluctuation on enzyme reaction energy barriers in combined quantum mechanical/molecular mechanical studies J. Phys. Chem. B 107 2003 4459 4463
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 4459-4463
-
-
Zhang, Y.K.1
-
22
-
-
0036025446
-
Quantum mechanical methods for enzyme kinetics
-
Gao J., Truhlar D.G. Quantum mechanical methods for enzyme kinetics Annu. Rev. Phys. Chem. 53 2002 467 505
-
(2002)
Annu. Rev. Phys. Chem.
, vol.53
, pp. 467-505
-
-
Gao, J.1
Truhlar, D.G.2
-
23
-
-
0041876227
-
Computer simulations of enzyme catalysis: Methods, progress, and insights
-
Warshel A. Computer simulations of enzyme catalysis: methods, progress, and insights Annu. Rev. Biophys. Biomol. Struct. 32 2003 425 443
-
(2003)
Annu. Rev. Biophys. Biomol. Struct.
, vol.32
, pp. 425-443
-
-
Warshel, A.1
-
24
-
-
0037422356
-
Ab initio QM/MM modeling of the hydroxylation step in p-hydroxybenzoate hydroxylase
-
Ridder L. Ab initio QM/MM modeling of the hydroxylation step in p-hydroxybenzoate hydroxylase J. Phys. Chem. B 107 2003 2118 2126
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 2118-2126
-
-
Ridder, L.1
-
25
-
-
2942739060
-
Conformational effects in enzyme catalysis: QM/MM free energy calculation of the 'NAC' contribution in chorismate mutase
-
Ranaghan K.E., Mulholland A.J. Conformational effects in enzyme catalysis: QM/MM free energy calculation of the 'NAC' contribution in chorismate mutase Chem. Commun. (Camb) 2004 1238 1239
-
(2004)
Chem. Commun. (Camb)
, pp. 1238-1239
-
-
Ranaghan, K.E.1
Mulholland, A.J.2
-
26
-
-
2342565009
-
Transition state stabilization and substrate strain in enzyme catalysis: Ab initio QM/MM modelling of the chorismate mutase reaction
-
Ranaghan K.E. Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction Org. Biomol. Chem. 2 2004 968 980
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 968-980
-
-
Ranaghan, K.E.1
-
27
-
-
0034716340
-
Ab initio QM/MM study of the citrate synthase mechanism. a low-barrier hydrogen bond is not involved
-
Mulholland A.J. Ab initio QM/MM study of the citrate synthase mechanism. A low-barrier hydrogen bond is not involved J. Am. Chem. Soc. 122 2000 534 535
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 534-535
-
-
Mulholland, A.J.1
-
28
-
-
0038056330
-
Exploring the quantum mechanical/molecular mechanical replica path method: A pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase
-
Woodcock H.L. Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase Theor. Chem. Acc. 109 2003 140 148
-
(2003)
Theor. Chem. Acc.
, vol.109
, pp. 140-148
-
-
Woodcock, H.L.1
-
29
-
-
84986513644
-
Combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
-
Field M.J. Combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations J. Comp. Chem. 11 1990 700 733
-
(1990)
J. Comp. Chem.
, vol.11
, pp. 700-733
-
-
Field, M.J.1
-
30
-
-
0017100947
-
Theoretical studies of enzymic reactions - Dielectric, electrostatic and steric stabilization of carbonium ion in reaction of lysozyme
-
Warshel A., Levitt M. Theoretical studies of enzymic reactions - dielectric, electrostatic and steric stabilization of carbonium ion in reaction of lysozyme J. Mol. Biol. 103 1976 227 249
-
(1976)
J. Mol. Biol.
, vol.103
, pp. 227-249
-
-
Warshel, A.1
Levitt, M.2
-
31
-
-
0000218385
-
A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region
-
Lyne P.D. A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region J. Phys. Chem. A 103 1999 3462 3471
-
(1999)
J. Phys. Chem. a
, vol.103
, pp. 3462-3471
-
-
Lyne, P.D.1
-
32
-
-
0035138648
-
A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method
-
Cui Q. A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method J. Phys. Chem. B 105 2001 569 585
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 569-585
-
-
Cui, Q.1
-
33
-
-
0035786390
-
The QM/MM Approach to Enzymatic Reactions
-
Erikkson L.A. Elsevier
-
Mulholland A.J. The QM/MM Approach to Enzymatic Reactions Erikkson L.A. Theoretical Biochemistry 2001 Elsevier 597 653
-
(2001)
Theoretical Biochemistry
, pp. 597-653
-
-
Mulholland, A.J.1
-
34
-
-
2642585833
-
Importance of van der Waals interactions in QM/MM Simulations
-
Riccardi D. Importance of van der Waals interactions in QM/MM Simulations J. Phys. Chem. B 108 2004 6467 6478
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 6467-6478
-
-
Riccardi, D.1
-
35
-
-
0037115887
-
Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
-
Das D. Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method J. Chem. Phys. 117 2002 10534 10547
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 10534-10547
-
-
Das, D.1
-
36
-
-
3142766126
-
Combining self-consistent-charge density-functional tight-binding (SCC-DFTB) with molecular mechanics by the generalized hybrid orbital (GHO) method
-
Pu J.Z. Combining self-consistent-charge density-functional tight-binding (SCC-DFTB) with molecular mechanics by the generalized hybrid orbital (GHO) method J. Phys. Chem. A 108 2004 5454 5463
-
(2004)
J. Phys. Chem. a
, vol.108
, pp. 5454-5463
-
-
Pu, J.Z.1
-
37
-
-
0442279531
-
Generalized hybrid orbital (GHO) method for combining ab initio Hartree-Fock wave functions with molecular mechanics
-
Pu J.Z. Generalized hybrid orbital (GHO) method for combining ab initio Hartree-Fock wave functions with molecular mechanics J. Phys. Chem. A 108 2004 632 650
-
(2004)
J. Phys. Chem. a
, vol.108
, pp. 632-650
-
-
Pu, J.Z.1
-
38
-
-
0034644411
-
A quantum mechanical/molecular mechanical study of the hydroxylation of phenol and hydroxylated derivatives by phenol hydroxylase
-
Ridder L. A quantum mechanical/molecular mechanical study of the hydroxylation of phenol and hydroxylated derivatives by phenol hydroxylase J. Am. Chem. Soc. 122 2000 8728 8738
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8728-8738
-
-
Ridder, L.1
-
39
-
-
0942276314
-
A quantum mechanics-based scoring function: Study of zinc ion-mediated ligand binding
-
Raha K., Merz K.M. A quantum mechanics-based scoring function: study of zinc ion-mediated ligand binding J. Am. Chem. Soc. 126 2004 1020 1021
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 1020-1021
-
-
Raha, K.1
Merz, K.M.2
-
40
-
-
4644275807
-
Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes
-
Meunier B. Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes Chem. Rev. 104 2004 3947 3980
-
(2004)
Chem. Rev.
, vol.104
, pp. 3947-3980
-
-
Meunier, B.1
-
41
-
-
0034973773
-
Common and uncommon cytochrome P450 reactions related to metabolism and chemical toxicity
-
Guengerich F.P. Common and uncommon cytochrome P450 reactions related to metabolism and chemical toxicity Chem. Res. Toxicol. 14 2001 611 650
-
(2001)
Chem. Res. Toxicol.
, vol.14
, pp. 611-650
-
-
Guengerich, F.P.1
-
42
-
-
10644249977
-
In silico methods for predicting ligand binding determinants of cytochromes P450
-
de Groot M.J. In silico methods for predicting ligand binding determinants of cytochromes P450 Curr. Top. Med. Chem. 4 2004 1803 1824
-
(2004)
Curr. Top. Med. Chem.
, vol.4
, pp. 1803-1824
-
-
De Groot, M.J.1
-
43
-
-
12144287949
-
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: Theory supports a two-state rebound mechanism
-
Schoneboom J.C. Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: theory supports a two-state rebound mechanism J. Am. Chem. Soc. 126 2004 4017 4034
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 4017-4034
-
-
Schoneboom, J.C.1
-
44
-
-
0038472409
-
Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450
-
Guallar V. Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450 Proc. Natl. Acad. Sci. U. S. A. 100 2003 6998 7002
-
(2003)
Proc. Natl. Acad. Sci. U. S. A.
, vol.100
, pp. 6998-7002
-
-
Guallar, V.1
-
45
-
-
25144520939
-
Electronic structure of Compound I in human isoforms of cytochrome P450 from QM/MM modelling
-
Bathelt C. Electronic structure of Compound I in human isoforms of cytochrome P450 from QM/MM modelling J. Am. Chem. Soc. 2005 (in press)
-
(2005)
J. Am. Chem. Soc.
-
-
Bathelt, C.1
-
46
-
-
16244412269
-
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class a beta-lactamase with benzylpenicillin
-
Hermann J.C. Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin J. Am. Chem. Soc. 127 2005 4454 4465
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 4454-4465
-
-
Hermann, J.C.1
-
47
-
-
0032724367
-
Is there a covalent intermediate in the viral neuraminidase reaction? a hybrid potential free-energy study
-
Thomas A. Is there a covalent intermediate in the viral neuraminidase reaction? A hybrid potential free-energy study J. Am. Chem. Soc. 121 1999 9693 9702
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 9693-9702
-
-
Thomas, A.1
-
48
-
-
4644341669
-
4-hydroxyphenylpyruvate dioxygenase: A hybrid density functional study of the catalytic reaction mechanism
-
Borowski T. 4-hydroxyphenylpyruvate dioxygenase: a hybrid density functional study of the catalytic reaction mechanism Biochemistry 43 2004 12331 12342
-
(2004)
Biochemistry
, vol.43
, pp. 12331-12342
-
-
Borowski, T.1
-
49
-
-
3042717031
-
A theoretical study of the cis-dihydroxylation mechanism in naphthalene 1,2-dioxygenase
-
Bassan A. A theoretical study of the cis-dihydroxylation mechanism in naphthalene 1,2-dioxygenase J. Biol. Inorg. Chem. 9 2004 439 452
-
(2004)
J. Biol. Inorg. Chem.
, vol.9
, pp. 439-452
-
-
Bassan, A.1
-
50
-
-
1342281186
-
Density functional calculations on class III ribonucleotide reductase: Substrate reaction mechanism with two formates
-
Cho K.B. Density functional calculations on class III ribonucleotide reductase: substrate reaction mechanism with two formates J. Phys. Chem. B 108 2004 2056 2065
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 2056-2065
-
-
Cho, K.B.1
-
51
-
-
6444229663
-
QM/MM studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-CoA provide insight into reaction energetics
-
Xu D. QM/MM studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-CoA provide insight into reaction energetics J. Am. Chem. Soc. 126 2004 13649 13658
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13649-13658
-
-
Xu, D.1
-
52
-
-
0345529841
-
What is so special about Arg 55 in the catalysis of cyclophilin A? Insights from hybrid QM/MM simulations
-
Li G., Cui Q. What is so special about Arg 55 in the catalysis of cyclophilin A? Insights from hybrid QM/MM simulations J. Am. Chem. Soc. 125 2003 15028 15038
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 15028-15038
-
-
Li, G.1
Cui, Q.2
-
53
-
-
15544388511
-
Computing kinetic isotope effects for chorismate mutase with high accuracy. a new DFT/MM strategy
-
Marti S. Computing kinetic isotope effects for chorismate mutase with high accuracy. A new DFT/MM strategy J. Phys. Chem. B 109 2005 3707 3710
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 3707-3710
-
-
Marti, S.1
-
54
-
-
3242674950
-
QM/MM determination of kinetic isotope effects for COMT-catalyzed methyl transfer does not support compression hypothesis
-
Ruggiero G.D. QM/MM determination of kinetic isotope effects for COMT-catalyzed methyl transfer does not support compression hypothesis J. Am. Chem. Soc. 126 2004 8634 8635
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 8634-8635
-
-
Ruggiero, G.D.1
-
55
-
-
16244384181
-
Hybrid QM/MM and DIFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis
-
Park H. Hybrid QM/MM and DIFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis J. Am. Chem. Soc. 127 2005 4232 4241
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 4232-4241
-
-
Park, H.1
-
56
-
-
2642570997
-
The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: Understanding from theory and experiment
-
Cisneros G.A. The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: understanding from theory and experiment Biochemistry 43 2004 6885 6892
-
(2004)
Biochemistry
, vol.43
, pp. 6885-6892
-
-
Cisneros, G.A.1
-
57
-
-
18744400238
-
Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase
-
Crespo A. Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase J. Am. Chem. Soc. 127 2005 6940 6941
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 6940-6941
-
-
Crespo, A.1
-
58
-
-
14944360652
-
Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism
-
Guimaraes C.R.W. Macrophomate synthase: QM/MM simulations address the Diels-Alder versus Michael-Aldol reaction mechanism J. Am. Chem. Soc. 127 2005 3577 3588
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 3577-3588
-
-
Guimaraes, C.R.W.1
-
59
-
-
4644295684
-
Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design
-
Gleeson M.P. Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design Org. Biomol. Chem. 2 2004 2275 2280
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 2275-2280
-
-
Gleeson, M.P.1
-
60
-
-
0035909316
-
Uracil-DNA glycosylase acts by substrate autocatalysis
-
Dinner A.R. Uracil-DNA glycosylase acts by substrate autocatalysis Nature 413 2001 752 755
-
(2001)
Nature
, vol.413
, pp. 752-755
-
-
Dinner, A.R.1
-
61
-
-
16344363592
-
Simulating redox coupled proton transfer in cytochrome c oxidase: Looking for the proton bottleneck
-
Olsson M.H.M. Simulating redox coupled proton transfer in cytochrome c oxidase: Looking for the proton bottleneck FEBS Lett. 579 2005 2026 2034
-
(2005)
FEBS Lett.
, vol.579
, pp. 2026-2034
-
-
Olsson, M.H.M.1
-
62
-
-
8744303696
-
Prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site
-
Bjelic S., Åqvist J. Prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site Biochemistry 43 2004 14521 14528
-
(2004)
Biochemistry
, vol.43
, pp. 14521-14528
-
-
Bjelic, S.1
Åqvist, J.2
|