-
3
-
-
0037954564
-
Mammalian molybdo-flavoenzymes, an expanding family of proteins: Structure, genetics, regulation, function and pathophysiology
-
Garattini E, Mendel R, Romao MJ, Wright R, Terao M (2003) Mammalian molybdo-flavoenzymes, an expanding family of proteins: structure, genetics, regulation, function and pathophysiology. The Biochemical journal 372: 15-32.
-
(2003)
The Biochemical Journal
, vol.372
, pp. 15-32
-
-
Garattini, E.1
Mendel, R.2
Romao, M.J.3
Wright, R.4
Terao, M.5
-
4
-
-
0025804879
-
Identification of a molybdopterin-containing molybdenum cofactor in xanthine dehydrogenase from Pseudomonas aeruginosa
-
Johnson JL, Chaudhury M, Rajagopalan KV (1991) Identification of a molybdopterin-containing molybdenum cofactor in xanthine dehydrogenase from Pseudomonas aeruginosa. Biofactors 3: 103-107.
-
(1991)
Biofactors
, vol.3
, pp. 103-107
-
-
Johnson, J.L.1
Chaudhury, M.2
Rajagopalan, K.V.3
-
5
-
-
0020478588
-
Evidence for the inorganic nature of the cyanolyzable sulfur of molybdenum hydroxylases
-
Wahl RC, Rajagopalan KV (1982) Evidence for the inorganic nature of the cyanolyzable sulfur of molybdenum hydroxylases. The Journal of biological chemistry 257: 1354-1359.
-
(1982)
The Journal of Biological Chemistry
, vol.257
, pp. 1354-1359
-
-
Wahl, R.C.1
Rajagopalan, K.V.2
-
6
-
-
0028807552
-
Crystal structure of the xanthine oxidase-related aldehyde oxido-reductase from D. gigas
-
Romao MJ, Archer M, Moura I, Moura JJ, LeGall J, et al. (1995) Crystal structure of the xanthine oxidase-related aldehyde oxido-reductase from D. gigas. Science 270: 1170-1176.
-
(1995)
Science
, vol.270
, pp. 1170-1176
-
-
Romao, M.J.1
Archer, M.2
Moura, I.3
Moura, J.J.4
LeGall, J.5
-
7
-
-
0033525080
-
The reductive half-reaction of xanthine oxidase. Reaction with aldehyde substrates and identification of the catalytically labile oxygen
-
Xia M, Dempski R, Hille R (1999) The reductive half-reaction of xanthine oxidase. Reaction with aldehyde substrates and identification of the catalytically labile oxygen. J Biol Chem 274: 3323-3330.
-
(1999)
J Biol Chem
, vol.274
, pp. 3323-3330
-
-
Xia, M.1
Dempski, R.2
Hille, R.3
-
8
-
-
0034646312
-
Analysis of the electron paramagnetic resonance properties of the [2Fe-2S]1+ centers in molybdenum enzymes of the xanthine oxidase family: Assignment of signals I and II
-
Caldeira J, Belle V, Asso M, Guigliarelli B, Moura I, et al. (2000) Analysis of the electron paramagnetic resonance properties of the [2Fe-2S]1+ centers in molybdenum enzymes of the xanthine oxidase family: assignment of signals I and II. Biochemistry 39: 2700-2707.
-
(2000)
Biochemistry
, vol.39
, pp. 2700-2707
-
-
Caldeira, J.1
Belle, V.2
Asso, M.3
Guigliarelli, B.4
Moura, I.5
-
9
-
-
0000273676
-
The Mononuclear Molybdenum Enzymes
-
Hille R (1996) The Mononuclear Molybdenum Enzymes. Chem Rev 96: 2757-2816.
-
(1996)
Chem Rev
, vol.96
, pp. 2757-2816
-
-
Hille, R.1
-
10
-
-
0034718556
-
Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: Structure-based mechanism of conversion
-
Enroth C, Eger BT, Okamoto K, Nishino T, Pai EF (2000) Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion. Proceedings of the National Academy of Sciences of the United States of America 97: 10723-10728.
-
(2000)
Proceedings of the National Academy of Sciences of the United States of America
, vol.97
, pp. 10723-10728
-
-
Enroth, C.1
Eger, B.T.2
Okamoto, K.3
Nishino, T.4
Pai, E.F.5
-
11
-
-
0017393474
-
Oxidation - reduction potentials of turkey liver xanthine dehydrogenase and the origins of oxidase and dehydrogenase behaviour in molybdenum-containing hydroxylases
-
Barber MJ, Bray RC, Cammack R, Coughlan MP (1977) Oxidation - reduction potentials of turkey liver xanthine dehydrogenase and the origins of oxidase and dehydrogenase behaviour in molybdenum-containing hydroxylases. The Biochemical journal 163: 279-289.
-
(1977)
The Biochemical Journal
, vol.163
, pp. 279-289
-
-
Barber, M.J.1
Bray, R.C.2
Cammack, R.3
Coughlan, M.P.4
-
12
-
-
0020487554
-
Properties of the prosthetic groups of rabbit liver aldehyde oxidase: A comparison of molybdenum hydroxylase enzymes
-
Barber MJ, Coughlan MP, Rajagopalan KV, Siegel LM (1982) Properties of the prosthetic groups of rabbit liver aldehyde oxidase: a comparison of molybdenum hydroxylase enzymes. Biochemistry 21: 3561-3568.
-
(1982)
Biochemistry
, vol.21
, pp. 3561-3568
-
-
Barber, M.J.1
Coughlan, M.P.2
Rajagopalan, K.V.3
Siegel, L.M.4
-
13
-
-
58249104034
-
Role of the molybdoflavoenzyme aldehyde oxidase homolog 2 in the biosynthesis of retinoic acid: Generation and characterization of a knockout mouse
-
Terao M, Kurosaki M, Barzago MM, Fratelli M, Bagnati R, et al. (2009) Role of the molybdoflavoenzyme aldehyde oxidase homolog 2 in the biosynthesis of retinoic acid: generation and characterization of a knockout mouse. Mol Cell Biol 29: 357-377.
-
(2009)
Mol Cell Biol
, vol.29
, pp. 357-377
-
-
Terao, M.1
Kurosaki, M.2
Barzago, M.M.3
Fratelli, M.4
Bagnati, R.5
-
14
-
-
36749030043
-
Human aldehyde oxidase 1 interacts with ATP-binding cassette transporter-1 and modulates its activity in hepatocytes
-
Sigruener A, Buechler C, Orso E, Hartmann A, Wild PJ, et al. (2007) Human aldehyde oxidase 1 interacts with ATP-binding cassette transporter-1 and modulates its activity in hepatocytes. Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme 39: 781-789.
-
(2007)
Hormone and Metabolic Research = Hormon- und Stoffwechselforschung = Hormones et Metabolisme
, vol.39
, pp. 781-789
-
-
Sigruener, A.1
Buechler, C.2
Orso, E.3
Hartmann, A.4
Wild, P.J.5
-
15
-
-
48749121995
-
Small-interference RNA-mediated knock-down of aldehyde oxidase 1 in 3T3-L1 cells impairs adipogenesis and adiponectin release
-
Weigert J, Neumeier M, Bauer S, Mages W, Schnitzbauer AA, et al. (2008) Small-interference RNA-mediated knock-down of aldehyde oxidase 1 in 3T3-L1 cells impairs adipogenesis and adiponectin release. FEBS letters 582: 2965-2972.
-
(2008)
FEBS Letters
, vol.582
, pp. 2965-2972
-
-
Weigert, J.1
Neumeier, M.2
Bauer, S.3
Mages, W.4
Schnitzbauer, A.A.5
-
16
-
-
19344370480
-
A new aldehyde oxidase selectively expressed in chemosensory organs of insects
-
Merlin C, Francois MC, Bozzolan F, Pelletier J, Jacquin-Joly E, et al. (2005) A new aldehyde oxidase selectively expressed in chemosensory organs of insects. Biochem Biophys Res Commun 332: 4-10.
-
(2005)
Biochem Biophys Res Commun
, vol.332
, pp. 4-10
-
-
Merlin, C.1
Francois, M.C.2
Bozzolan, F.3
Pelletier, J.4
Jacquin-Joly, E.5
-
17
-
-
76249096555
-
The mammalian aldehyde oxidase gene family
-
Garattini E, Fratelli M, Terao M (2009) The mammalian aldehyde oxidase gene family. Hum Genomics 4: 119-130.
-
(2009)
Hum Genomics
, vol.4
, pp. 119-130
-
-
Garattini, E.1
Fratelli, M.2
Terao, M.3
-
18
-
-
42449117257
-
Mammalian aldehyde oxidases: Genetics, evolution and biochemistry
-
Garattini E, Fratelli M and Terao M (2008) Mammalian aldehyde oxidases: genetics, evolution and biochemistry. Cell Mol Life Sci 65: 1019-1048.
-
(2008)
Cell Mol Life Sci
, vol.65
, pp. 1019-1048
-
-
Garattini, E.1
Fratelli, M.2
Terao, M.3
-
19
-
-
33745871580
-
Avian and canine aldehyde oxidases. Novel insights into the biology and evolution of molybdo-flavoenzymes
-
Terao M, Kurosaki M, Barzago MM, Varasano E, Boldetti A, et al. (2006) Avian and canine aldehyde oxidases. Novel insights into the biology and evolution of molybdo-flavoenzymes. The Journal of biological chemistry 281: 19748-19761.
-
(2006)
The Journal of Biological Chemistry
, vol.281
, pp. 19748-19761
-
-
Terao, M.1
Kurosaki, M.2
Barzago, M.M.3
Varasano, E.4
Boldetti, A.5
-
20
-
-
1542365400
-
Regulation and biochemistry of mouse molybdo-flavoenzymes. The DBA/2 mouse is selectively deficient in the expression of aldehyde oxidase homologues 1 and 2 and represents a unique source for the purification and characterization of aldehyde oxidase
-
Vila R, Kurosaki M, Barzago MM, Kolek M, Bastone A, et al. (2004) Regulation and biochemistry of mouse molybdo-flavoenzymes. The DBA/2 mouse is selectively deficient in the expression of aldehyde oxidase homologues 1 and 2 and represents a unique source for the purification and characterization of aldehyde oxidase. The Journal of biological chemistry 279: 8668-8683.
-
(2004)
The Journal of Biological Chemistry
, vol.279
, pp. 8668-8683
-
-
Vila, R.1
Kurosaki, M.2
Barzago, M.M.3
Kolek, M.4
Bastone, A.5
-
21
-
-
9644262449
-
The aldehyde oxidase gene cluster in mice and rats. Aldehyde oxidase homologue 3, a novel member of the molybdo-flavoenzyme family with selective expression in the olfactory mucosa
-
Kurosaki M, Terao M, Barzago MM, Bastone A, Bernardinello D, et al. (2004) The aldehyde oxidase gene cluster in mice and rats. Aldehyde oxidase homologue 3, a novel member of the molybdo-flavoenzyme family with selective expression in the olfactory mucosa. The Journal of biological chemistry 279: 50482-50498.
-
(2004)
The Journal of Biological Chemistry
, vol.279
, pp. 50482-50498
-
-
Kurosaki, M.1
Terao, M.2
Barzago, M.M.3
Bastone, A.4
Bernardinello, D.5
-
22
-
-
1642539111
-
Potent inhibition of human liver aldehyde oxidase by raloxifene
-
Obach RS (2004) Potent inhibition of human liver aldehyde oxidase by raloxifene. Drug Metab Dispos 32: 89-97.
-
(2004)
Drug Metab Dispos
, vol.32
, pp. 89-97
-
-
Obach, R.S.1
-
23
-
-
84870012251
-
The first mammalian aldehyde oxidase crystal structure: Insights into substrate specificity
-
Coelho C, Mahro M, Trincao J, Carvalho AT, Ramos MJ, et al. (2012) The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity. The Journal of biological chemistry 287: 40690-40702.
-
(2012)
The Journal of Biological Chemistry
, vol.287
, pp. 40690-40702
-
-
Coelho, C.1
Mahro, M.2
Trincao, J.3
Carvalho, A.T.4
Ramos, M.J.5
-
24
-
-
80053139530
-
Characterization and crystallization of mouse aldehyde oxidase 3: From mouse liver to Escherichia coli heterologous protein expression
-
Mahro M, Coelho C, Trincao J, Rodrigues D, Terao M, et al. (2011) Characterization and crystallization of mouse aldehyde oxidase 3: from mouse liver to Escherichia coli heterologous protein expression. Drug metabolism and disposition: the biological fate of chemicals 39: 1939-1945.
-
(2011)
Drug Metabolism and Disposition: The Biological Fate of Chemicals
, vol.39
, pp. 1939-1945
-
-
Mahro, M.1
Coelho, C.2
Trincao, J.3
Rodrigues, D.4
Terao, M.5
-
25
-
-
65549121564
-
Site directed mutagenesis of amino acid residues at the active site of mouse aldehyde oxidase AOX1
-
Schumann S, Terao M, Garattini E, Saggu M, Lendzian F, et al. (2009) Site directed mutagenesis of amino acid residues at the active site of mouse aldehyde oxidase AOX1. PloS one 4: e5348.
-
(2009)
PloS One
, vol.4
-
-
Schumann, S.1
Terao, M.2
Garattini, E.3
Saggu, M.4
Lendzian, F.5
-
26
-
-
84859917371
-
The impact of single nucleotide polymorphisms on human aldehyde oxidase
-
Hartmann T, Terao M, Garattini E, Teutloff C, Alfaro JF, et al. (2012) The impact of single nucleotide polymorphisms on human aldehyde oxidase. Drug metabolism and disposition: the biological fate of chemicals 40: 856-864.
-
(2012)
Drug Metabolism and Disposition: The Biological Fate of Chemicals
, vol.40
, pp. 856-864
-
-
Hartmann, T.1
Terao, M.2
Garattini, E.3
Teutloff, C.4
Alfaro, J.F.5
-
27
-
-
36949002370
-
Human xanthine oxidase changes its substrate specificity to aldehyde oxidase type upon mutation of amino acid residues in the active site: Roles of active site residues in binding and activation of purine substrate
-
Yamaguchi Y, Matsumura T, Ichida K, Okamoto K, Nishino T (2007) Human xanthine oxidase changes its substrate specificity to aldehyde oxidase type upon mutation of amino acid residues in the active site: roles of active site residues in binding and activation of purine substrate. J Biochem 141: 513-524.
-
(2007)
J Biochem
, vol.141
, pp. 513-524
-
-
Yamaguchi, Y.1
Matsumura, T.2
Ichida, K.3
Okamoto, K.4
Nishino, T.5
-
28
-
-
0003035369
-
Aldehyde oxidase, xanthine oxidase and xanthine dehydrogenase; hydroxylases containing molybdenum, iron-sulphur and flavin
-
M. P Coughlan, editor editors. Oxford: Pergamon Press
-
Coughlan MP (1980) Aldehyde oxidase, xanthine oxidase and xanthine dehydrogenase; hydroxylases containing molybdenum, iron-sulphur and flavin. In: M. P Coughlan, editor editors. Molybdenum and Molybdenum-Containing Enzymes. Oxford: Pergamon Press. pp. 119-185.
-
(1980)
Molybdenum and Molybdenum-Containing Enzymes
, pp. 119-185
-
-
Coughlan, M.P.1
-
29
-
-
59949104495
-
Functional analysis of aldehyde oxidase using expressed chimeric enzyme between monkey and rat
-
Itoh K, Asakawa T, Hoshino K, Adachi M, Fukiya K, et al. (2009) Functional analysis of aldehyde oxidase using expressed chimeric enzyme between monkey and rat. Biological & pharmaceutical bulletin 32: 31-35.
-
(2009)
Biological & Pharmaceutical Bulletin
, vol.32
, pp. 31-35
-
-
Itoh, K.1
Asakawa, T.2
Hoshino, K.3
Adachi, M.4
Fukiya, K.5
-
30
-
-
4644366935
-
The role of active site glutamate residues in catalysis of Rhodobacter capsulatus xanthine dehydrogenase
-
Leimkühler S, Stockert AL, Igarashi K, Nishino T, Hille R (2004) The role of active site glutamate residues in catalysis of Rhodobacter capsulatus xanthine dehydrogenase. The Journal of biological chemistry 279: 40437-40444.
-
(2004)
The Journal of Biological Chemistry
, vol.279
, pp. 40437-40444
-
-
Leimkühler, S.1
Stockert, A.L.2
Igarashi, K.3
Nishino, T.4
Hille, R.5
-
31
-
-
78650097787
-
Crystal Structures of Urate Bound Form of Xanthine Oxidoreductase: Substrate Orientation and Structure of the Key Reaction Intermediate
-
Okamoto K, Kawaguchi Y, Eger BT, Pai EF, Nishino T (2010) Crystal Structures of Urate Bound Form of Xanthine Oxidoreductase: Substrate Orientation and Structure of the Key Reaction Intermediate. Journal of the American Chemical Society.
-
(2010)
Journal of the American Chemical Society
-
-
Okamoto, K.1
Kawaguchi, Y.2
Eger, B.T.3
Pai, E.F.4
Nishino, T.5
-
32
-
-
69249111693
-
MocA is a specific cytidylyltransferase involved in molybdopterin cytosine dinucleotide biosynthesis in Escherichia coli
-
Neumann M, Mittelstädt G, Seduk F, Iobbi-Nivol C, Leimkühler S (2009) MocA is a specific cytidylyltransferase involved in molybdopterin cytosine dinucleotide biosynthesis in Escherichia coli. The Journal of biological chemistry 284: 21891-21898.
-
(2009)
The Journal of Biological Chemistry
, vol.284
, pp. 21891-21898
-
-
Neumann, M.1
Mittelstädt, G.2
Seduk, F.3
Iobbi-Nivol, C.4
Leimkühler, S.5
-
33
-
-
0034052745
-
Functional expression of two Arabidopsis aldehyde oxidases in the yeast Pichia pastoris
-
Koiwai H, Akaba S, Seo M, Komano T, Koshiba T (2000) Functional expression of two Arabidopsis aldehyde oxidases in the yeast Pichia pastoris. Journal of biochemistry 127: 659-664.
-
(2000)
Journal of Biochemistry
, vol.127
, pp. 659-664
-
-
Koiwai, H.1
Akaba, S.2
Seo, M.3
Komano, T.4
Koshiba, T.5
-
35
-
-
0001651375
-
Novel Method for Accurate G-Measurements in Electron-Spin Resonance
-
Stesmans A, Vangorp G (1989) Novel Method for Accurate G-Measurements in Electron-Spin Resonance. Rev Sci Instrum 60: 2949-2952.
-
(1989)
Rev Sci Instrum
, vol.60
, pp. 2949-2952
-
-
Stesmans, A.1
Vangorp, G.2
-
36
-
-
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
-
38
-
-
84892771722
-
-
Gaussian Inc. COP, Bldg. 6, Pittsburgh, PA 15106, USA
-
Gaussian Inc. COP, Bldg. 6, Pittsburgh, PA 15106, USA.
-
-
-
-
39
-
-
0027136282
-
COMPARATIVE PROTEIN MODELING BY SATISFACTION OF SPATIAL RESTRAINTS
-
Sali A, Blundell TL (1993) COMPARATIVE PROTEIN MODELING BY SATISFACTION OF SPATIAL RESTRAINTS. Journal of Molecular Biology 234: 779-815.
-
(1993)
Journal of Molecular Biology
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
40
-
-
0033810049
-
Modeling of loops in protein structures
-
Fiser A, Do RKG, Sali A (2000) Modeling of loops in protein structures. Protein Science 9: 1753-1773.
-
(2000)
Protein Science
, vol.9
, pp. 1753-1773
-
-
Fiser, A.1
Do, R.K.G.2
Sali, A.3
-
41
-
-
0033873929
-
Comparative protein structure modeling of genes and genomes
-
Marti-Renom MA, Stuart AC, Fiser A, Sanchez R, Melo F, et al. (2000) Comparative protein structure modeling of genes and genomes. Annual Review of Biophysics and Biomolecular Structure 29: 291-325.
-
(2000)
Annual Review of Biophysics and Biomolecular Structure
, vol.29
, pp. 291-325
-
-
Marti-Renom, M.A.1
Stuart, A.C.2
Fiser, A.3
Sanchez, R.4
Melo, F.5
-
42
-
-
38049034590
-
Comparative Protein Structure Modeling With MODELLER. Current Protocols in Bioinformatics
-
I. John Wiley & Sons, editor editors
-
Eswar N, Marti-Renom MA, Webb B, Madhusudhan MS, Eramian D, et al. (2006) Comparative Protein Structure Modeling With MODELLER. Current Protocols in Bioinformatics. In: I. John Wiley & Sons, editor editors. Current Protocols in Bioinformatics.
-
(2006)
Current Protocols in Bioinformatics
-
-
Eswar, N.1
Marti-Renom, M.A.2
Webb, B.3
Madhusudhan, M.S.4
Eramian, D.5
-
43
-
-
11144255959
-
Density-functional thermochemistry.4. A new dynamical correlation functional and implications for exact-exchange mixing
-
Becke AD (1996) Density-functional thermochemistry.4. A new dynamical correlation functional and implications for exact-exchange mixing. J Chem Phys 104: 1040-1046.
-
(1996)
J Chem Phys
, vol.104
, pp. 1040-1046
-
-
Becke, A.D.1
-
44
-
-
4243553426
-
Density-Functional Exchange-Energy Approximation with Correct Asymptotic-Behavior
-
Becke AD (1988) Density-Functional Exchange-Energy Approximation with Correct Asymptotic-Behavior. Physical Review A 38: 3098-3100.
-
(1988)
Physical Review a
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
45
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density
-
Lee CT, Yang WT, Parr RG (1988) Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density. Physical Review B 37: 785-789.
-
(1988)
Physical Review B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
47
-
-
3042524904
-
A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges - The Resp Model
-
Bayly CI, Cieplak P, Cornell WD, Kollman PA (1993) A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges - the Resp Model. Journal of Physical Chemistry 97: 10269-10280.
-
(1993)
Journal of Physical Chemistry
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
48
-
-
0344436712
-
Van der Waals radii of elements
-
Batsanov SS (2001) Van der Waals radii of elements. Inorganic Materials 37: 871-885.
-
(2001)
Inorganic Materials
, vol.37
, pp. 871-885
-
-
Batsanov, S.S.1
-
50
-
-
70450206724
-
-
Wallingford CT: Gaussian, Inc.
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE; Robb, et al. (2009) Gaussian 09. Wallingford CT: Gaussian, Inc.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb5
-
51
-
-
58049201323
-
-
University of California, San Francisco
-
Case DA, Darden TA, Cheatham III TE, Simmerling CL, Wang J, Duke RE, et al. (2008) AMBER 10, University of California, San Francisco.
-
(2008)
AMBER 10
-
-
Case, D.A.1
Darden, T.A.2
Cheatham III, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
-
52
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang JM, Wolf RM, Caldwell JW, Kollman PA, Case DA (2004) Development and testing of a general amber force field. Journal of Computational Chemistry 25: 1157-1174.
-
(2004)
Journal of Computational Chemistry
, vol.25
, pp. 1157-1174
-
-
Wang, J.M.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
54
-
-
33646940952
-
Numerical-Integration of Cartesian Equations of Motion of a System with Constraints - Molecular-Dynamics of N-Alkanes
-
Ryckaert JP, Ciccotti G, Berendsen HJC (1977) Numerical-Integration of Cartesian Equations of Motion of a System with Constraints - Molecular-Dynamics of N-Alkanes. J Comput Phys 23: 327-341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
55
-
-
33645961739
-
A SMOOTH PARTICLE MESH EWALD METHOD
-
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, et al. (1995) A SMOOTH PARTICLE MESH EWALD METHOD. J Chem Phys 103: 8577-8593.
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
|