-
1
-
-
0035321405
-
Purification, characterization, and gene cloning of purine nucleosidase from Ochrobactrum anthropi
-
J. Ogawa, S. Takeda, S.X. Xie, H. Hatanaka, T. Ashikari, T. Amachi, and S. Shimizu Purification, characterization, and gene cloning of purine nucleosidase from Ochrobactrum anthropi Appl. Environ. Microbiol. 67 2001 1783 1787
-
(2001)
Appl. Environ. Microbiol.
, vol.67
, pp. 1783-1787
-
-
Ogawa, J.1
Takeda, S.2
Xie, S.X.3
Hatanaka, H.4
Ashikari, T.5
Amachi, T.6
Shimizu, S.7
-
2
-
-
0035668550
-
A nonspecific nucleoside hydrolase from Leishmania donovani: Implications for purine salvage by the parasite
-
L. Cui, G.R. Rajasekariah, and S.K. Martin A nonspecific nucleoside hydrolase from Leishmania donovani: Implications for purine salvage by the parasite Gene 280 2001 153 162
-
(2001)
Gene
, vol.280
, pp. 153-162
-
-
Cui, L.1
Rajasekariah, G.R.2
Martin, S.K.3
-
3
-
-
0036951940
-
The URH1 uridine ribohydrolase of Saccharomyces cerevisiae
-
J.E. Kurtz, F. Exinger, P. Erbs, and R. Jund The URH1 uridine ribohydrolase of Saccharomyces cerevisiae Curr. Genet. 41 2002 132 141
-
(2002)
Curr. Genet.
, vol.41
, pp. 132-141
-
-
Kurtz, J.E.1
Exinger, F.2
Erbs, P.3
Jund, R.4
-
4
-
-
0035847078
-
The RihA, RihB, and RihC ribonucleoside hydrolases of Escherichia coli. Substrate specificity, gene expression, and regulation
-
C. Petersen, and L.B. Moller The RihA, RihB, and RihC ribonucleoside hydrolases of Escherichia coli. Substrate specificity, gene expression, and regulation J. Biol. Chem. 276 2001 884 894
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 884-894
-
-
Petersen, C.1
Moller, L.B.2
-
5
-
-
0037211629
-
The salivary purine nucleosidase of the mosquito, Aedes aegypti
-
J.M. Ribeiro, and J.G. Valenzuela The salivary purine nucleosidase of the mosquito, Aedes aegypti Insect Biochem. Mol. Biol. 33 2003 13 22
-
(2003)
Insect Biochem. Mol. Biol.
, vol.33
, pp. 13-22
-
-
Ribeiro, J.M.1
Valenzuela, J.G.2
-
6
-
-
0038383049
-
Cloning, preliminary characterization and crystallization of nucleoside hydrolases from Caenorhabditis elegans and Campylobacter jejuni
-
W. Versees, E. Van Holsbeke, S. De Vos, K. Decanniere, I. Zegers, and J. Steyaert Cloning, preliminary characterization and crystallization of nucleoside hydrolases from Caenorhabditis elegans and Campylobacter jejuni Acta Crystallogr. D: Biol. Crystallogr. 59 2003 1087 1089
-
(2003)
Acta Crystallogr. D: Biol. Crystallogr.
, vol.59
, pp. 1087-1089
-
-
Versees, W.1
Van Holsbeke, E.2
De Vos, S.3
Decanniere, K.4
Zegers, I.5
Steyaert, J.6
-
7
-
-
0031890380
-
Molecular cloning and expression of a purine-specific N-ribohydrolase from Trypanosoma brucei brucei. Sequence, expression, and molecular analysis
-
R. Pelle, V.L. Schramm, and D.W. Parkin Molecular cloning and expression of a purine-specific N-ribohydrolase from Trypanosoma brucei brucei. Sequence, expression, and molecular analysis J. Biol. Chem. 273 1998 2118 2126
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 2118-2126
-
-
Pelle, R.1
Schramm, V.L.2
Parkin, D.W.3
-
9
-
-
0141954523
-
Potential chemotherapeutic targets in the purine metabolism of parasites
-
M.H. el Kouni Potential chemotherapeutic targets in the purine metabolism of parasites Pharmacol. Ther. 99 2003 283 309
-
(2003)
Pharmacol. Ther.
, vol.99
, pp. 283-309
-
-
El Kouni, M.H.1
-
10
-
-
48949098886
-
Purine salvage pathways in the intraerythrocytic malaria parasite Plasmodium falciparum
-
M.J. Downie, K. Kirk, and C.B. Mamoun Purine salvage pathways in the intraerythrocytic malaria parasite Plasmodium falciparum Eukaryot. Cell 7 2008 1231 1237
-
(2008)
Eukaryot. Cell
, vol.7
, pp. 1231-1237
-
-
Downie, M.J.1
Kirk, K.2
Mamoun, C.B.3
-
11
-
-
0032834001
-
Iminoribitol transition state analogue inhibitors of protozoan nucleoside hydrolases
-
R.W. Miles, P.C. Tyler, G.B. Evans, R.H. Furneaux, D.W. Parkin, and V.L. Schramm Iminoribitol transition state analogue inhibitors of protozoan nucleoside hydrolases Biochemistry 38 1999 13147 13154
-
(1999)
Biochemistry
, vol.38
, pp. 13147-13154
-
-
Miles, R.W.1
Tyler, P.C.2
Evans, G.B.3
Furneaux, R.H.4
Parkin, D.W.5
Schramm, V.L.6
-
12
-
-
28144463963
-
Therapeutic nanoreactors: Combining chemistry and biology in a novel triblock copolymer drug delivery system
-
A. Ranquin, W. Versees, W. Meier, J. Steyaert, and P. Van Gelder Therapeutic nanoreactors: Combining chemistry and biology in a novel triblock copolymer drug delivery system Nano Lett. 5 2005 2220 2224
-
(2005)
Nano Lett.
, vol.5
, pp. 2220-2224
-
-
Ranquin, A.1
Versees, W.2
Meier, W.3
Steyaert, J.4
Van Gelder, P.5
-
13
-
-
39749114381
-
Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases
-
G.B. Evans, R.H. Furneaux, B. Greatrex, A.S. Murkin, V.L. Schramm, and P.C. Tyler Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases J. Med. Chem. 51 2008 948 956
-
(2008)
J. Med. Chem.
, vol.51
, pp. 948-956
-
-
Evans, G.B.1
Furneaux, R.H.2
Greatrex, B.3
Murkin, A.S.4
Schramm, V.L.5
Tyler, P.C.6
-
14
-
-
60849123762
-
Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors
-
M. Berg, G. Bal, A. Goeminne, P. Van der Veken, W. Versees, J. Steyaert, A. Haemers, and K. Augustyns Synthesis of bicyclic N-arylmethyl-substituted iminoribitol derivatives as selective nucleoside hydrolase inhibitors ChemMedChem 4 2009 249 260
-
(2009)
ChemMedChem
, vol.4
, pp. 249-260
-
-
Berg, M.1
Bal, G.2
Goeminne, A.3
Van Der Veken, P.4
Versees, W.5
Steyaert, J.6
Haemers, A.7
Augustyns, K.8
-
15
-
-
47349106853
-
N-Arylmethyl substituted iminoribitol derivatives as inhibitors of a purine specific nucleoside hydrolase
-
A. Goeminne, M. Berg, M. McNaughton, G. Bal, G. Surpateanu, P. Van der Veken, S. De Prol, W. Versees, J. Steyaert, A. Haemers, and K. Augustyns N-Arylmethyl substituted iminoribitol derivatives as inhibitors of a purine specific nucleoside hydrolase Bioorg. Med. Chem. 16 2008 6752 6763
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 6752-6763
-
-
Goeminne, A.1
Berg, M.2
Mcnaughton, M.3
Bal, G.4
Surpateanu, G.5
Van Der Veken, P.6
De Prol, S.7
Versees, W.8
Steyaert, J.9
Haemers, A.10
Augustyns, K.11
-
16
-
-
77957915467
-
Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei
-
A. Vandemeulebroucke, C. Minici, I. Bruno, L. Muzzolini, P. Tornaghi, D.W. Parkin, W. Versees, J. Steyaert, and M. Degano Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei Biochemistry 49 2010 8999 9010
-
(2010)
Biochemistry
, vol.49
, pp. 8999-9010
-
-
Vandemeulebroucke, A.1
Minici, C.2
Bruno, I.3
Muzzolini, L.4
Tornaghi, P.5
Parkin, D.W.6
Versees, W.7
Steyaert, J.8
Degano, M.9
-
17
-
-
0029808060
-
Purine-specific nucleoside N-ribohydrolase from Trypanosoma brucei brucei. Purification, specificity, and kinetic mechanism
-
D.W. Parkin Purine-specific nucleoside N-ribohydrolase from Trypanosoma brucei brucei. Purification, specificity, and kinetic mechanism J. Biol. Chem. 271 1996 21713 21719
-
(1996)
J. Biol. Chem.
, vol.271
, pp. 21713-21719
-
-
Parkin, D.W.1
-
18
-
-
0035853293
-
Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax
-
W. Versees, K. Decanniere, R. Pelle, J. Depoorter, E. Brosens, D.W. Parkin, and J. Steyaert Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax J. Mol. Biol. 307 2001 1363 1379
-
(2001)
J. Mol. Biol.
, vol.307
, pp. 1363-1379
-
-
Versees, W.1
Decanniere, K.2
Pelle, R.3
Depoorter, J.4
Brosens, E.5
Parkin, D.W.6
Steyaert, J.7
-
19
-
-
0037013267
-
Enzyme-substrate interactions in the purine-specific nucleoside hydrolase from Trypanosoma vivax
-
W. Versees, K. Decanniere, E. Van Holsbeke, N. Devroede, and J. Steyaert Enzyme-substrate interactions in the purine-specific nucleoside hydrolase from Trypanosoma vivax J. Biol. Chem. 277 2002 15938 15946
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 15938-15946
-
-
Versees, W.1
Decanniere, K.2
Van Holsbeke, E.3
Devroede, N.4
Steyaert, J.5
-
20
-
-
17344381987
-
Leaving group activation by aromatic stacking: An alternative to general acid catalysis
-
W. Versees, S. Loverix, A. Vandemeulebroucke, P. Geerlings, and J. Steyaert Leaving group activation by aromatic stacking: An alternative to general acid catalysis J. Mol. Biol. 338 2004 1 6
-
(2004)
J. Mol. Biol.
, vol.338
, pp. 1-6
-
-
Versees, W.1
Loverix, S.2
Vandemeulebroucke, A.3
Geerlings, P.4
Steyaert, J.5
-
21
-
-
33646190292
-
Transition-state complex of the purine-specific nucleoside hydrolase of T. vivax: Enzyme conformational changes and implications for catalysis
-
W. Versees, J. Barlow, and J. Steyaert Transition-state complex of the purine-specific nucleoside hydrolase of T. vivax: Enzyme conformational changes and implications for catalysis J. Mol. Biol. 359 2006 331 346
-
(2006)
J. Mol. Biol.
, vol.359
, pp. 331-346
-
-
Versees, W.1
Barlow, J.2
Steyaert, J.3
-
22
-
-
52049126845
-
A flexible loop as a functional element in the catalytic mechanism of nucleoside hydrolase from Trypanosoma vivax
-
A. Vandemeulebroucke, S. De Vos, E. Van Holsbeke, J. Steyaert, and W. Versees A flexible loop as a functional element in the catalytic mechanism of nucleoside hydrolase from Trypanosoma vivax J. Biol. Chem. 283 2008 22272 22282
-
(2008)
J. Biol. Chem.
, vol.283
, pp. 22272-22282
-
-
Vandemeulebroucke, A.1
De Vos, S.2
Van Holsbeke, E.3
Steyaert, J.4
Versees, W.5
-
23
-
-
67349158628
-
Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors
-
W. Versees, A. Goeminne, M. Berg, A. Vandemeulebroucke, A. Haemers, K. Augustyns, and J. Steyaert Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors Biochim. Biophys. Acta 1794 2009 953 960
-
(2009)
Biochim. Biophys. Acta
, vol.1794
, pp. 953-960
-
-
Versees, W.1
Goeminne, A.2
Berg, M.3
Vandemeulebroucke, A.4
Haemers, A.5
Augustyns, K.6
Steyaert, J.7
-
24
-
-
33746635945
-
Multiple transients in the pre-steady-state of nucleoside hydrolase reveal complex substrate binding, product base release, and two apparent rates of chemistry
-
A. Vandemeulebroucke, W. Versees, J. Steyaert, and J.N. Barlow Multiple transients in the pre-steady-state of nucleoside hydrolase reveal complex substrate binding, product base release, and two apparent rates of chemistry Biochemistry 45 2006 9307 9318
-
(2006)
Biochemistry
, vol.45
, pp. 9307-9318
-
-
Vandemeulebroucke, A.1
Versees, W.2
Steyaert, J.3
Barlow, J.N.4
-
25
-
-
0242592081
-
Pre-steady-state analysis of the nucleoside hydrolase of Trypanosoma vivax. Evidence for half-of-The-sites reactivity and rate-limiting product release
-
A. Vandemeulebroucke, W. Versees, S. De Vos, E. Van Holsbeke, and J. Steyaert Pre-steady-state analysis of the nucleoside hydrolase of Trypanosoma vivax. Evidence for half-of-the-sites reactivity and rate-limiting product release Biochemistry 42 2003 12902 12908
-
(2003)
Biochemistry
, vol.42
, pp. 12902-12908
-
-
Vandemeulebroucke, A.1
Versees, W.2
De Vos, S.3
Van Holsbeke, E.4
Steyaert, J.5
-
26
-
-
33644635257
-
Toward a detailed understanding of base excision repair enzymes: Transition state and mechanistic analyses of N-glycoside hydrolysis and N-glycoside transfer
-
P.J. Berti, and J.A. McCann Toward a detailed understanding of base excision repair enzymes: Transition state and mechanistic analyses of N-glycoside hydrolysis and N-glycoside transfer Chem. Rev. 106 2006 506 555
-
(2006)
Chem. Rev.
, vol.106
, pp. 506-555
-
-
Berti, P.J.1
Mccann, J.A.2
-
27
-
-
36248953674
-
Examination of the mechanism and energetic contribution of leaving group activation in the purine-specific nucleoside hydrolase from Trypanosoma vivax
-
J.N. Barlow, and J. Steyaert Examination of the mechanism and energetic contribution of leaving group activation in the purine-specific nucleoside hydrolase from Trypanosoma vivax Biochim. Biophys. Acta 1774 2007 1451 1461
-
(2007)
Biochim. Biophys. Acta
, vol.1774
, pp. 1451-1461
-
-
Barlow, J.N.1
Steyaert, J.2
-
28
-
-
84863165405
-
QM/MM molecular dynamics study of purine-specific nucleoside hydrolase
-
R. Wu, W. Gong, T. Liu, Y. Zhang, and Z. Cao QM/MM molecular dynamics study of purine-specific nucleoside hydrolase J. Phys. Chem. B 116 2012 1984 1991
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 1984-1991
-
-
Wu, R.1
Gong, W.2
Liu, T.3
Zhang, Y.4
Cao, Z.5
-
29
-
-
80054950510
-
Molecular dynamics simulations and drug discovery
-
J.D. Durrant, and J.A. McCammon Molecular dynamics simulations and drug discovery BMC Biol. 9 2011 71
-
(2011)
BMC Biol.
, vol.9
, pp. 71
-
-
Durrant, J.D.1
Mccammon, J.A.2
-
30
-
-
0242663237
-
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
-
Y. Duan, C. Wu, S. Chowdhury, M.C. Lee, G. Xiong, W. Zhang, R. Yang, P. Cieplak, R. Luo, T. Lee, J. Caldwell, J. Wang, and P. Kollman A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations J. Comput. Chem. 24 2003 1999 2012
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1999-2012
-
-
Duan, Y.1
Wu, C.2
Chowdhury, S.3
Lee, M.C.4
Xiong, G.5
Zhang, W.6
Yang, R.7
Cieplak, P.8
Luo, R.9
Lee, T.10
Caldwell, J.11
Wang, J.12
Kollman, P.13
-
31
-
-
2942532422
-
Development and testing of a general amber force field
-
J. Wang, R.M. Wolf, J.W. Caldwell, P.A. Kollman, and D.A. Case Development and testing of a general amber force field J. Comput. Chem. 25 2004 1157 1174
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
32
-
-
3042524904
-
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model
-
C.I. Bayly, P. Cieplak, W. Cornell, and P.A. Kollman A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model J. Phys. Chem. 97 1993 10269 10280
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269-10280
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.3
Kollman, P.A.4
-
33
-
-
84878110086
-
-
Gaussian Inc. Wallingford CT
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox 2009 Gaussian Inc. Wallingford CT
-
(2009)
-
-
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
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
34
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 79 1983 926
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
35
-
-
23444454552
-
The Amber biomolecular simulation programs
-
D.A. Case, T.E. Cheatham III, T. Darden, H. Gohlke, R. Luo, K.M. Merz Jr., A. Onufriev, C. Simmerling, B. Wang, and R.J. Woods The Amber biomolecular simulation programs J. Comput. Chem. 26 2005 1668 1688
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz, Jr.K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
36
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. Van Gunsteren, A. DiNola, and J.R. Haak Molecular dynamics with coupling to an external bath J. Chem. Phys. 81 1984 3684 3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
37
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
J.P. Ryckaert, G. Ciccotti, and H.J.C. Berendsen Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes J. Comput. Phys. 23 1977 327 341
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
38
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
G.M. Torrie, and J.P. Valleau Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling J. Comput. Phys. 23 1977 187 199
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
39
-
-
84871864524
-
Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes
-
R. Vijayaraj, S. Van Damme, P. Bultinck, and V. Subramanian Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes J. Phys. Chem. B 116 2012 9922 9933
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 9922-9933
-
-
Vijayaraj, R.1
Van Damme, S.2
Bultinck, P.3
Subramanian, V.4
-
41
-
-
0042415783
-
NAMD2: Great scalability for parallel molecular dynamics
-
L. Kale, R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten NAMD2: Great scalability for parallel molecular dynamics J. Comput. Phys. 151 1999 283 312
-
(1999)
J. Comput. Phys.
, vol.151
, pp. 283-312
-
-
Kale, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
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