-
1
-
-
0023061429
-
Complexes of sequential metabolic enzymes
-
P.A. Srere Complexes of sequential metabolic enzymes Annu. Rev. Biochem. 56 1987 89 124
-
(1987)
Annu. Rev. Biochem.
, vol.56
, pp. 89-124
-
-
Srere, P.A.1
-
2
-
-
77951681944
-
Functional motifs in biochemical reaction networks
-
J.J. Tyson, and B. Novák Functional motifs in biochemical reaction networks Annu. Rev. Phys. Chem. 61 2010 219 240
-
(2010)
Annu. Rev. Phys. Chem.
, vol.61
, pp. 219-240
-
-
Tyson, J.J.1
Novák, B.2
-
3
-
-
0344631518
-
Substrate channeling
-
H.O. Spivey, and J. Ovádi Substrate channeling Methods 19 1999 306 321
-
(1999)
Methods
, vol.19
, pp. 306-321
-
-
Spivey, H.O.1
Ovádi, J.2
-
4
-
-
84896342239
-
A model study of sequential enzyme reactions and electrostatic channeling
-
C. Eun, and P.M. Kekenes-Huskey J.A. McCammon A model study of sequential enzyme reactions and electrostatic channeling J. Chem. Phys. 140 2014 105101
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 105101
-
-
Eun, C.1
Kekenes-Huskey, P.M.2
McCammon, J.A.3
-
5
-
-
58149316290
-
Diffusional channeling in the sulfate-activating complex: Combined continuum modeling and coarse-grained brownian dynamics studies
-
Y. Cheng, and C.E. Chang J.A. McCammon Diffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studies Biophys. J. 95 2008 4659 4667
-
(2008)
Biophys. J.
, vol.95
, pp. 4659-4667
-
-
Cheng, Y.1
Chang, C.E.2
McCammon, J.A.3
-
6
-
-
0028403267
-
Structure of and kinetic channelling in bifunctional dihydrofolate reductase-thymidylate synthase
-
D.R. Knighton, and C.C. Kan D.A. Matthews Structure of and kinetic channelling in bifunctional dihydrofolate reductase-thymidylate synthase Nat. Struct. Biol. 1 1994 186 194
-
(1994)
Nat. Struct. Biol.
, vol.1
, pp. 186-194
-
-
Knighton, D.R.1
Kan, C.C.2
Matthews, D.A.3
-
7
-
-
0030603887
-
Electrostatic channeling in the bifunctional enzyme dihydrofolate reductase-thymidylate synthase
-
A.H. Elcock, and M.J. Potter J.A. McCammon Electrostatic channeling in the bifunctional enzyme dihydrofolate reductase-thymidylate synthase J. Mol. Biol. 262 1996 370 374
-
(1996)
J. Mol. Biol.
, vol.262
, pp. 370-374
-
-
Elcock, A.H.1
Potter, M.J.2
McCammon, J.A.3
-
8
-
-
0242501573
-
Insights into antifolate resistance from malarial DHFR-TS structures
-
J. Yuvaniyama, and P. Chitnumsub Y. Yuthavong Insights into antifolate resistance from malarial DHFR-TS structures Nat. Struct. Biol. 10 2003 357 365
-
(2003)
Nat. Struct. Biol.
, vol.10
, pp. 357-365
-
-
Yuvaniyama, J.1
Chitnumsub, P.2
Yuthavong, Y.3
-
9
-
-
0036311129
-
Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 Å and 1.05 Å resolution
-
A.E. Klon, and A. Héroux D.W. Borhani Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 Å and 1.05 Å resolution J. Mol. Biol. 320 2002 677 693
-
(2002)
J. Mol. Biol.
, vol.320
, pp. 677-693
-
-
Klon, A.E.1
Héroux, A.2
Borhani, D.W.3
-
10
-
-
33645978031
-
Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance
-
A.C. Anderson Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. 61 2005 258 262
-
(2005)
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.
, vol.61
, pp. 258-262
-
-
Anderson, A.C.1
-
11
-
-
84886067208
-
First three-dimensional structure of Toxoplasma gondii thymidylate synthase-dihydrofolate reductase: Insights for catalysis, interdomain interactions, and substrate channeling
-
H. Sharma, and M.J. Landau K.S. Anderson First three-dimensional structure of Toxoplasma gondii thymidylate synthase-dihydrofolate reductase: insights for catalysis, interdomain interactions, and substrate channeling Biochemistry 52 2013 7305 7317
-
(2013)
Biochemistry
, vol.52
, pp. 7305-7317
-
-
Sharma, H.1
Landau, M.J.2
Anderson, K.S.3
-
12
-
-
2442601490
-
Kinetic characterization of bifunctional thymidylate synthase-dihydrofolate reductase (TS-DHFR) from Cryptosporidium hominis: A paradigm shift for TS activity and channeling behavior
-
C.E. Atreya, and K.S. Anderson Kinetic characterization of bifunctional thymidylate synthase-dihydrofolate reductase (TS-DHFR) from Cryptosporidium hominis: a paradigm shift for TS activity and channeling behavior J. Biol. Chem. 279 2004 18314 18322
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 18314-18322
-
-
Atreya, C.E.1
Anderson, K.S.2
-
13
-
-
0028402722
-
An electrostatic highway
-
R.M. Stroud An electrostatic highway Nat. Struct. Biol. 1 1994 131 134
-
(1994)
Nat. Struct. Biol.
, vol.1
, pp. 131-134
-
-
Stroud, R.M.1
-
14
-
-
84881646320
-
Influence of neighboring reactive particles on diffusion-limited reactions
-
C. Eun, P.M. Kekenes-Huskey, and J.A. McCammon Influence of neighboring reactive particles on diffusion-limited reactions J. Chem. Phys. 139 2013 044117
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 044117
-
-
Eun, C.1
Kekenes-Huskey, P.M.2
McCammon, J.A.3
-
15
-
-
84870317105
-
Finite element estimation of protein-ligand association rates with post-encounter effects: Applications to calcium binding in Troponin C and SERCA
-
P.M. Kekenes-Huskey, and A. Gillette J.A. McCammon Finite element estimation of protein-ligand association rates with post-encounter effects: applications to calcium binding in Troponin C and SERCA Comput. Sci. Discov. 5 2012 04015
-
(2012)
Comput. Sci. Discov.
, vol.5
, pp. 04015
-
-
Kekenes-Huskey, P.M.1
Gillette, A.2
McCammon, J.A.3
-
16
-
-
33750652614
-
Brownian dynamics with hydrodynamic interactions
-
D.L. Ermak, and J.A. McCammon Brownian dynamics with hydrodynamic interactions J. Chem. Phys. 69 1978 1352 1360
-
(1978)
J. Chem. Phys.
, vol.69
, pp. 1352-1360
-
-
Ermak, D.L.1
McCammon, J.A.2
-
17
-
-
34547559704
-
PDB2PQR: Expanding and upgrading automated preparation of biomolecular structures for molecular simulations
-
T.J. Dolinsky, and P. Czodrowski N.A. Baker PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations Nucleic Acids Res. 35 2007 W522 W525
-
(2007)
Nucleic Acids Res.
, vol.35
, pp. 522-W525
-
-
Dolinsky, T.J.1
Czodrowski, P.2
Baker, N.A.3
-
18
-
-
3242886771
-
PDB2PQR: An automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations
-
T.J. Dolinsky, and J.E. Nielsen N.A. Baker PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations Nucleic Acids Res. 32 2004 W665 W667
-
(2004)
Nucleic Acids Res.
, vol.32
, pp. 665-W667
-
-
Dolinsky, T.J.1
Nielsen, J.E.2
Baker, N.A.3
-
19
-
-
28644432877
-
Very fast empirical prediction and rationalization of protein pKa values
-
H. Li, A.D. Robertson, and J.H. Jensen Very fast empirical prediction and rationalization of protein pKa values Proteins 61 2005 704 721
-
(2005)
Proteins
, vol.61
, pp. 704-721
-
-
Li, H.1
Robertson, A.D.2
Jensen, J.H.3
-
20
-
-
76249087938
-
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
-
K. Vanommeslaeghe, and E. Hatcher A.D. Mackerell Jr. CHARMM general force field: a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields J. Comput. Chem. 31 2010 671 690
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 671-690
-
-
Vanommeslaeghe, K.1
Hatcher, E.2
Mackerell, A.D.3
-
21
-
-
0035964342
-
Electrostatics of nanosystems: Application to microtubules and the ribosome
-
N.A. Baker, and D. Sept J.A. McCammon Electrostatics of nanosystems: application to microtubules and the ribosome Proc. Natl. Acad. Sci. USA 98 2001 10037 10041
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
McCammon, J.A.3
-
22
-
-
84986437211
-
Numerical solution of the nonlinear Poisson-Boltzmann equation: Developing more robust and efficient methods
-
M.J. Holst, and F. Saied Numerical solution of the nonlinear Poisson-Boltzmann equation: developing more robust and efficient methods J. Comput. Chem. 16 1995 337 364
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 337-364
-
-
Holst, M.J.1
Saied, F.2
-
23
-
-
77956262968
-
Browndye: A software package for Brownian dynamics
-
G.A. Huber, and J.A. McCammon Browndye: a software package for Brownian dynamics Comput. Phys. Commun. 181 2010 1896 1905
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1896-1905
-
-
Huber, G.A.1
McCammon, J.A.2
-
24
-
-
36549102274
-
Brownian dynamics simulation of diffusion-influenced bimolecular reactions
-
S.H. Northrup, S.A. Allison, and J. Andrew McCammon Brownian dynamics simulation of diffusion-influenced bimolecular reactions J. Chem. Phys. 80 1984 1517 1524
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 1517-1524
-
-
Northrup, S.H.1
Allison, S.A.2
Andrew McCammon, J.3
-
27
-
-
77952050895
-
Channeling by proximity: The catalytic advantages of active site colocalization using Brownian dynamics
-
P. Bauler, and G. Huber J.A. McCammon Channeling by proximity: the catalytic advantages of active site colocalization using Brownian dynamics J. Phys. Chem. Lett. 1 2010 1332 1335
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 1332-1335
-
-
Bauler, P.1
Huber, G.2
McCammon, J.A.3
-
28
-
-
0042206698
-
Probing electrostatic channeling in protozoal bifunctional thymidylate synthase-dihydrofolate reductase using site-directed mutagenesis
-
C.E. Atreya, and E.F. Johnson K.S. Anderson Probing electrostatic channeling in protozoal bifunctional thymidylate synthase-dihydrofolate reductase using site-directed mutagenesis J. Biol. Chem. 278 2003 28901 28911
-
(2003)
J. Biol. Chem.
, vol.278
, pp. 28901-28911
-
-
Atreya, C.E.1
Johnson, E.F.2
Anderson, K.S.3
-
29
-
-
3142716857
-
Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules
-
D. Hamelberg, J. Mongan, and J.A. McCammon Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules J. Chem. Phys. 120 2004 11919 11929
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 11919-11929
-
-
Hamelberg, D.1
Mongan, J.2
McCammon, J.A.3
|