-
1
-
-
0038148710
-
Conformational diversity and protein evolution: A 60-year-old hypothesis revisited
-
James, L. C., and Tawfik, D. S. (2003) Conformational diversity and protein evolution: A 60-year-old hypothesis revisited. Trends Biochem. Sci. 28, 361-368.
-
(2003)
Trends Biochem. Sci.
, vol.28
, pp. 361-368
-
-
James, L.C.1
Tawfik, D.S.2
-
2
-
-
66349132195
-
Relating protein conformational changes to packing efficiency and disorder
-
Bhardwaj, N., and Gerstein, M. (2009) Relating protein conformational changes to packing efficiency and disorder. Protein Sci. 18, 1230-1240.
-
(2009)
Protein Sci.
, vol.18
, pp. 1230-1240
-
-
Bhardwaj, N.1
Gerstein, M.2
-
3
-
-
41149104308
-
Allostery: Absence of a Change in Shape Does Not Imply that Allostery Is Not at Play
-
Tsai, C.-J., del Sol, A., and Nussinov, R. (2008) Allostery: Absence of a Change in Shape Does Not Imply that Allostery Is Not at Play. J. Mol. Biol. 378, 1-11.
-
(2008)
J. Mol. Biol.
, vol.378
, pp. 1-11
-
-
Tsai, C.-J.1
Del Sol, A.2
Nussinov, R.3
-
4
-
-
36849048228
-
Intrinsic motions along an enzymatic reaction trajectory
-
DOI 10.1038/nature06410, PII NATURE06410
-
Henzler-Wildman, K. A., Thai, V., Lei, M., Ott, M., Wolf-Watz, M., Fenn, T., Pozharski, E., Wilson, M. A., Petsko, G. A., Karplus, M., Hubner, C. G., and Kern, D. (2007) Intrinsic motions along an enzymatic reaction trajectory. Nature 450, 838-843. (Pubitemid 350231334)
-
(2007)
Nature
, vol.450
, Issue.7171
, pp. 838-844
-
-
Henzler-Wildman, K.A.1
Thai, V.2
Lei, M.3
Ott, M.4
Wolf-Watz, M.5
Fenn, T.6
Pozharski, E.7
Wilson, M.A.8
Petsko, G.A.9
Karplus, M.10
Hubner, C.G.11
Kern, D.12
-
5
-
-
58149316290
-
Diffusional Channeling in the Sulfate-Activating Complex: Combined Continuum Modeling and Coarse-Grained Brownian Dynamics Studies
-
Cheng, Y. H., Chang, C. E. A., Yu, Z. Y., Zhang, Y. J., Sun, M. H., Leyh, T. S., Holst, M. J., and McCammon, J. A. (2008) Diffusional Channeling in the Sulfate-Activating Complex: Combined Continuum Modeling and Coarse-Grained Brownian Dynamics Studies. Biophys. J. 95, 4659-4667.
-
(2008)
Biophys. J.
, vol.95
, pp. 4659-4667
-
-
Cheng, Y.H.1
Chang, C.E.A.2
Yu, Z.Y.3
Zhang, Y.J.4
Sun, M.H.5
Leyh, T.S.6
Holst, M.J.7
McCammon, J.A.8
-
6
-
-
35348942279
-
Allosteric communication in dihydrofolate reductase: Signaling network and pathways for closed to occluded transition and back
-
Chen, J., Dima, R. I., and Thirumalai, D. (2007) Allosteric communication in dihydrofolate reductase: Signaling network and pathways for closed to occluded transition and back. J. Mol. Biol. 374, 250-266.
-
(2007)
J. Mol. Biol.
, vol.374
, pp. 250-266
-
-
Chen, J.1
Dima, R.I.2
Thirumalai, D.3
-
7
-
-
62549167040
-
Ligand-induced global transitions in the catalytic domain of protein kinase A
-
Hyeon, C., Jennings, P. A., Adams, J. A., and Onuchic, J. N. (2009) Ligand-induced global transitions in the catalytic domain of protein kinase A. Proc. Natl. Acad. Sci. U.S.A. 106, 3023-3028.
-
(2009)
Proc. Natl. Acad. Sci. U.S.A.
, vol.106
, pp. 3023-3028
-
-
Hyeon, C.1
Jennings, P.A.2
Adams, J.A.3
Onuchic, J.N.4
-
8
-
-
58749094825
-
Small- And Large-Scale Conformational Changes of Adenylate Kinase: A Molecular Dynamics Study of the Subdomain Motion and Mechanics
-
Pontiggia, F., Zen, A., and Micheletti, C. (2008) Small- and Large-Scale Conformational Changes of Adenylate Kinase: A Molecular Dynamics Study of the Subdomain Motion and Mechanics. Biophys. J. 95, 5901-5912.
-
(2008)
Biophys. J.
, vol.95
, pp. 5901-5912
-
-
Pontiggia, F.1
Zen, A.2
Micheletti, C.3
-
9
-
-
58149346050
-
Molecular Dynamics Simulations of Factor Xa: Insight into Conformational Transition of Its Binding Subsites
-
Singh, N., and Briggs, J. M. (2008) Molecular Dynamics Simulations of Factor Xa: Insight into Conformational Transition of Its Binding Subsites. Biopolymers 89, 1104-1113.
-
(2008)
Biopolymers
, vol.89
, pp. 1104-1113
-
-
Singh, N.1
Briggs, J.M.2
-
10
-
-
55949090064
-
Taxol Allosterically Alters the Dynamics of the Tubulin Dimer and Increases the Flexibility of Microtubules
-
Mitra, A., and Sept, D. (2008) Taxol Allosterically Alters the Dynamics of the Tubulin Dimer and Increases the Flexibility of Microtubules. Biophys. J. 95, 3252-3258.
-
(2008)
Biophys. J.
, vol.95
, pp. 3252-3258
-
-
Mitra, A.1
Sept, D.2
-
11
-
-
53849130263
-
Tryptophan synthase, an allosteric molecular factory
-
Barends, T. R. M., Dunn, M. F., and Schlichting, I. (2008) Tryptophan synthase, an allosteric molecular factory. Curr. Opin. Chem. Biol. 12, 593-600.
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 593-600
-
-
Barends, T.R.M.1
Dunn, M.F.2
Schlichting, I.3
-
12
-
-
44749083353
-
Tryptophan Synthase: The Workings of a Channeling Nanomachine
-
Dunn, M. F., Niks, D., Ngo, H., Barends, T. R., and Schlichting, I. (2008) Tryptophan Synthase: The Workings of a Channeling Nanomachine. Trends Biochem. Sci. 33, 254-264.
-
(2008)
Trends Biochem. Sci.
, vol.33
, pp. 254-264
-
-
Dunn, M.F.1
Niks, D.2
Ngo, H.3
Barends, T.R.4
Schlichting, I.5
-
14
-
-
0032554651
-
Loop closure and intersubunit communication in tryptophan synthase
-
DOI 10.1021/bi9728957
-
Schneider, T. R., Gerhardt, E., Lee, M., Liang, P. H., Anderson, K. S., and Schlichting, I. (1998) Loop closure and intersubunit communication in tryptophan synthase. Biochemistry 37, 5394-5406. (Pubitemid 28241920)
-
(1998)
Biochemistry
, vol.37
, Issue.16
, pp. 5394-5406
-
-
Schneider, T.R.1
Gerhardt, E.2
Lee, M.3
Liang, P.-H.4
Anderson, K.S.5
Schlichting, I.6
-
15
-
-
44749089973
-
Structure and mechanistic implications of a tryptophan synthase quinonold intermediate
-
Barends, T. R. M., Domratcheva, T., Kulik, V., Blumenstein, L., Niks, D., Dunn, M. F., and Schlichting, I. (2008) Structure and mechanistic implications of a tryptophan synthase quinonold intermediate. ChemBioChem 9, 1024-1028.
-
(2008)
ChemBioChem
, vol.9
, pp. 1024-1028
-
-
Barends, T.R.M.1
Domratcheva, T.2
Kulik, V.3
Blumenstein, L.4
Niks, D.5
Dunn, M.F.6
Schlichting, I.7
-
16
-
-
0025975619
-
Mechanism of the Physiological Reaction Catalyzed by Tryptophan Synthase from Escherichia coli
-
Lane, A. N., and Kirschner, K. (1991) Mechanism of the Physiological Reaction Catalyzed by Tryptophan Synthase from Escherichia coli. Biochemistry 30, 479-484.
-
(1991)
Biochemistry
, vol.30
, pp. 479-484
-
-
Lane, A.N.1
Kirschner, K.2
-
17
-
-
0033596908
-
Cooperative fluctuations and subunit communication in tryptophan synthase
-
Bahar, I., and Jernigan, R. L. (1999) Cooperative fluctuations and subunit communication in tryptophan synthase. Biochemistry 38, 3478-3490. (Pubitemid 129514602)
-
(1999)
Biochemistry
, vol.38
, Issue.12
, pp. 3478-3490
-
-
Bahar, I.1
Jernigan, R.L.2
-
18
-
-
33745185519
-
Allosteric communication between α and β subunits of tryptophan synthase: Modelling the open-closed transition of the α subunit
-
Spyrakis, F., Raboni, S., Cozzini, P., Bettati, S., and Mozzarelli, A. (2006) Allosteric communication between α and β subunits of tryptophan synthase: Modelling the open-closed transition of the α subunit. Biochim. Biophys. Acta 1764, 1102-1109.
-
(2006)
Biochim. Biophys. Acta
, vol.1764
, pp. 1102-1109
-
-
Spyrakis, F.1
Raboni, S.2
Cozzini, P.3
Bettati, S.4
Mozzarelli, A.5
-
19
-
-
20644449471
-
A Modification of the Generalized Born Model Suitable for Macromolecules
-
Onufriev, A., Bashford, D., and Case, D. A. (2000) A Modification of the Generalized Born Model Suitable for Macromolecules. J. Phys. Chem. B 104, 3712-3720.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 3712-3720
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
20
-
-
34347331308
-
Synthesis and characterization of allosteric probes of substrate channeling in the tryptophan synthase bienzyme complex
-
DOI 10.1021/bi700385f
-
Ngo, H., Harris, R., Kimmich, N., Casino, P., Niks, D., Blumenstein, L., Barends, T. R., Kulik, V., Weyand, M., Schlichting, I., and Dunn, M. F. (2007) Synthesis and characterization of allosteric probes of substrate channeling in the tryptophan synthase bienzyme complex. Biochemistry 46, 7713-7727. (Pubitemid 47016056)
-
(2007)
Biochemistry
, vol.46
, Issue.26
, pp. 7713-7727
-
-
Ngo, H.1
Harris, R.2
Kimmich, N.3
Casino, P.4
Niks, D.5
Blumenstein, L.6
Barends, T.R.7
Kulik, V.8
Weyand, M.9
Schlichting, I.10
Dunn, M.F.11
-
21
-
-
23444454552
-
The Amber biomolecular simulation programs
-
Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A., Simmerling, C., Wang, B., and Woods, R. J. (2005) The Amber biomolecular simulation programs. J. Comput. Chem. 26, 1668-1688.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz, K.M.6
Onufriev, A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
22
-
-
0033554845
-
Crystal structure of wild-type tryptophan synthase complexed with the natural substrate indole-3-glycerol phosphate
-
DOI 10.1021/bi9920533
-
Weyand, M., and Schlichting, I. (1999) Crystal structure of wild-type tryptophan synthase complexed with the natural substrate indole-3-glycerol phosphate. Biochemistry 38, 16469-16480. (Pubitemid 30007499)
-
(1999)
Biochemistry
, vol.38
, Issue.50
, pp. 16469-16480
-
-
Weyand, M.1
Schlichting, I.2
-
23
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R. D., Kale, L., and Schulten, K. (2005) Scalable molecular dynamics with NAMD. J. Comput. Chem. 26, 1781-1802.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
Gumbart, J.4
Tajkhorshid, E.5
Villa, E.6
Chipot, C.7
Skeel, R.D.8
Kale, L.9
Schulten, K.10
-
24
-
-
70349932423
-
AutoDock4 and Auto DockTools4: Automated Docking with Selective Receptor Flexibility
-
in press
-
Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., and Olson, A. J. (2009) AutoDock4 and Auto DockTools4: Automated Docking with Selective Receptor Flexibility. J. Comput. Chem. (in press).
-
(2009)
J. Comput. Chem.
-
-
Morris, G.M.1
Huey, R.2
Lindstrom, W.3
Sanner, M.F.4
Belew, R.K.5
Goodsell, D.S.6
Olson, A.J.7
-
25
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang, J. M., Wolf, R. M., Caldwell, J. W., Kollman, P. A., and Case, D. A. (2004) Development and testing of a general amber force field. J. Comput. Chem. 25, 1157-1174.
-
(2004)
J. Comput. Chem.
, 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
-
26
-
-
33748518255
-
Comparison of multiple amber force fields and development of improved protein backbone parameters
-
DOI 10.1002/prot.21123
-
Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A., and Simmerling, C. (2006) Comparison of multiple amber force fields and development of improved protein backbone parameters. Proteins: Struct., Funct., Bioinf. 65, 712-725. (Pubitemid 44583220)
-
(2006)
Proteins: Structure, Function and Genetics
, vol.65
, Issue.3
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
27
-
-
33748538349
-
Automatic atom type and bond type perception in molecular mechanical calculations
-
Wang, J. M., Wang, W., Kollman, P. A., and Case, D. A. (2006) Automatic atom type and bond type perception in molecular mechanical calculations. J. Mol. Graphics Modell. 25, 247-260.
-
(2006)
J. Mol. Graphics Modell.
, vol.25
, pp. 247-260
-
-
Wang, J.M.1
Wang, W.2
Kollman, P.A.3
Case, D.A.4
-
28
-
-
62749158970
-
Using Multiconformation Continuum Electrostatics to Compare Chloride Binding Motifs in α-Amylase, Human Serum Albumin, and Omp32
-
Song, Y. F., and Gunner, M. R. (2009) Using Multiconformation Continuum Electrostatics to Compare Chloride Binding Motifs in α-Amylase, Human Serum Albumin, and Omp32. J. Mol. Biol. 387, 840-856.
-
(2009)
J. Mol. Biol.
, vol.387
, pp. 840-856
-
-
Song, Y.F.1
Gunner, M.R.2
-
29
-
-
0029878720
-
VMD: Visual Molecular Dynamics
-
Humphrey, W., Dalke, A., and Schulten, K. (1996) VMD: Visual Molecular Dynamics. J. Mol. Graphics 14, 33-38.
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
30
-
-
33750398103
-
Bio3d: An R package for the comparative analysis of protein structures
-
DOI 10.1093/bioinformatics/btl461
-
Grant, B. J., Rodrigues, A. P. C., ElSawy, K. M., McCammon, J. A., and Caves, L. S. D. (2006) Bio3d: An R package for the comparative analysis of protein structures. Bioinformatics 22, 2695-2696. (Pubitemid 44642612)
-
(2006)
Bioinformatics
, vol.22
, Issue.21
, pp. 2695-2696
-
-
Grant, B.J.1
Rodrigues, A.P.C.2
Elsawy, K.M.3
McCammon, J.A.4
Caves, L.S.D.5
-
31
-
-
0036771626
-
Accelerated Poisson-Boltzmann calculations for static and dynamic systems
-
Luo, R., David, L., and Gilson, M. K. (2002) Accelerated Poisson-Boltzmann calculations for static and dynamic systems. J. Comput. Chem. 23, 1244-1253.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1244-1253
-
-
Luo, R.1
David, L.2
Gilson, M.K.3
-
32
-
-
32844457567
-
Accurate Calculation of Hydration Free-Energies Using Macroscopic Solvent Models
-
Sitkoff, D., Sharp, K. A., and Honig, B. (1994) Accurate Calculation of Hydration Free-Energies Using Macroscopic Solvent Models. J. Phys. Chem. 98, 1978-1988.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1978-1988
-
-
Sitkoff, D.1
Sharp, K.A.2
Honig, B.3
-
33
-
-
35748981535
-
Implicit nonpolar solvent models
-
Tan, C., Tan, Y. H., and Luo, R. (2007) Implicit nonpolar solvent models. J. Phys. Chem. B 111, 12263-12274.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 12263-12274
-
-
Tan, C.1
Tan, Y.H.2
Luo, R.3
-
34
-
-
46449096350
-
Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods
-
Hnizdo, V., Tan, J., Killian, B. J., and Gilson, M. K. (2008) Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods. J. Comput. Chem. 29, 1605-1614.
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 1605-1614
-
-
Hnizdo, V.1
Tan, J.2
Killian, B.J.3
Gilson, M.K.4
-
35
-
-
44949167588
-
Entropic contributions and the influence of the hydrophobic environment in promiscuous protein-protein association
-
Chang, C.-E. A., McLaughlin, W. A., Baron, R., Wang, W., and McCammon, J. A. (2008) Entropic contributions and the influence of the hydrophobic environment in promiscuous protein-protein association. Proc. Natl. Acad. Sci. U.S.A. 105, 7456-7461.
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 7456-7461
-
-
Chang, C.-E.A.1
McLaughlin, W.A.2
Baron, R.3
Wang, W.4
McCammon, J.A.5
-
36
-
-
34147133371
-
Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation
-
Meirovitch, H. (2007) Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation. Curr. Opin. Struct. Biol. 17, 181-186.
-
(2007)
Curr. Opin. Struct. Biol.
, vol.17
, pp. 181-186
-
-
Meirovitch, H.1
-
38
-
-
36749008588
-
Large-scale allosteric conformational transitions of adenylate kinase appear to involve a population-shift mechanism
-
Arora, K., and Brooks, C. L. (2007) Large-scale allosteric conformational transitions of adenylate kinase appear to involve a population-shift mechanism. Proc. Natl. Acad. Sci. U.S.A. 104, 18496-18501.
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 18496-18501
-
-
Arora, K.1
Brooks, C.L.2
-
39
-
-
25144472137
-
Conformational equilibria and free energy profiles for the allosteric transition of the ribose-binding protein
-
Ravindranathan, K. P., Gallicchio, E., and Levy, R. M. (2005) Conformational equilibria and free energy profiles for the allosteric transition of the ribose-binding protein. J. Mol. Biol. 353, 196-210.
-
(2005)
J. Mol. Biol.
, vol.353
, pp. 196-210
-
-
Ravindranathan, K.P.1
Gallicchio, E.2
Levy, R.M.3
-
40
-
-
42949129270
-
A Coupled Equilibrium Shift Mechanism in Calmodulin-Mediated Signal Transduction
-
DOI 10.1016/j.str.2008.02.017, PII S0969212608001317
-
Gsponer, J., Christodoulou, J., Cavalli, A., Bui, J. M., Richter, B., Dobson, C. M., and Vendruscolo, M. (2008) A coupled equilibrium shift mechanism in calmodulin-mediated signal transduction. Structure 16, 736-746. (Pubitemid 351615020)
-
(2008)
Structure
, vol.16
, Issue.5
, pp. 736-746
-
-
Gsponer, J.1
Christodoulou, J.2
Cavalli, A.3
Bui, J.M.4
Richter, B.5
Dobson, C.M.6
Vendruscolo, M.7
-
41
-
-
49649084492
-
Dynamic energy landscape view of coupled binding and protein conformational change: Induced-fit versus population-shift mechanisms
-
Okazaki, K. I., and Takada, S. (2008) Dynamic energy landscape view of coupled binding and protein conformational change: Induced-fit versus population-shift mechanisms. Proc. Natl. Acad. Sci. U.S.A. 105, 11182-11187.
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 11182-11187
-
-
Okazaki, K.I.1
Takada, S.2
-
42
-
-
67849106802
-
Substrate Induced Population Shifts and Stochastic Gating in the PBCV-1 mRNA Capping Enzyme
-
Swift, R. V., and McCammon, J. A. (2009) Substrate Induced Population Shifts and Stochastic Gating in the PBCV-1 mRNA Capping Enzyme. J. Am. Chem. Soc. 131, 5126-5133.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 5126-5133
-
-
Swift, R.V.1
McCammon, J.A.2
-
43
-
-
40549107133
-
Conformational selection in silico: Loop latching motions and ligand binding in enzymes
-
DOI 10.1002/prot.21666
-
Wong, S., and Jacobson, M. P. (2008) Conformational selection in silico: Loop latching motions and ligand binding in enzymes. Proteins 71, 153-164. (Pubitemid 351358599)
-
(2008)
Proteins: Structure, Function and Genetics
, vol.71
, Issue.1
, pp. 153-164
-
-
Wong, S.1
Jacobson, M.P.2
-
44
-
-
9944237833
-
Complementarity of structure ensembles in protein-protein binding
-
DOI 10.1016/j.str.2004.09.014, PII S0969212604003491
-
Grunberg, R., Leckner, J., and Nilges, M. (2004) Complementarity of structure ensembles in protein-protein binding. Structure 12, 2125-2136. (Pubitemid 39593192)
-
(2004)
Structure
, vol.12
, Issue.12
, pp. 2125-2136
-
-
Grunberg, R.1
Leckner, J.2
Nilges, M.3
-
45
-
-
33645701499
-
Elasticity of peptide omega bonds
-
Shen, T., Hamelberg, D., and McCammon, J. A. (2006) Elasticity of peptide omega bonds. Phys. Rev. E 73, 041908-041913.
-
(2006)
Phys. Rev.
, vol.E 73
, pp. 41908-41913
-
-
Shen, T.1
Hamelberg, D.2
McCammon, J.A.3
-
47
-
-
0032496231
-
Mutation of an active site residue of tryptophan synthase (β-serine 377) alters cofactor chemistry
-
Jhee, K. H., Yang, L. H., Ahmed, S. A., McPhie, P., Rowlett, R., and Miles, E. W. (1998) Mutation of an active site residue of tryptophan synthase (β-serine 377) alters cofactor chemistry. J. Biol. Chem. 273, 11417-11422.
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 11417-11422
-
-
Jhee, K.H.1
Yang, L.H.2
Ahmed, S.A.3
McPhie, P.4
Rowlett, R.5
Miles, E.W.6
-
48
-
-
5644287368
-
Free energy, entropy, and induced fit in host-guest recognition: Calculations with the second-generation mining minima algorithm
-
Chang, C. E., and Gilson, M. K. (2004) Free energy, entropy, and induced fit in host-guest recognition: Calculations with the second-generation mining minima algorithm. J. Am. Chem. Soc. 126, 13156-13164.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13156-13164
-
-
Chang, C.E.1
Gilson, M.K.2
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