-
1
-
-
0000421878
-
The nature of forces between large molecules of biological interest
-
Pauling L. The nature of forces between large molecules of biological interest. Nature 161 (1948) 707-709
-
(1948)
Nature
, vol.161
, pp. 707-709
-
-
Pauling, L.1
-
2
-
-
0016624901
-
Binding energy, specificity, and enzymic catalysis: the Circe effect
-
Jencks W. Binding energy, specificity, and enzymic catalysis: the Circe effect. Adv. Enzym. 43 (1975) 219-310
-
(1975)
Adv. Enzym.
, vol.43
, pp. 219-310
-
-
Jencks, W.1
-
3
-
-
9744244983
-
Enzymatic transition states: thermodynamics, dynamics and analogue design
-
Schramm V. Enzymatic transition states: thermodynamics, dynamics and analogue design. Arch. Biochem. Biophys. 433 (2005) 13-26
-
(2005)
Arch. Biochem. Biophys.
, vol.433
, pp. 13-26
-
-
Schramm, V.1
-
4
-
-
36749119688
-
CO binding to heme proteins: a model for barrier height distributions and slow conformational changes
-
Agmon N., and Hopfield J. CO binding to heme proteins: a model for barrier height distributions and slow conformational changes. J. Chem. Phys. 79 (1983) 2042-2053
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 2042-2053
-
-
Agmon, N.1
Hopfield, J.2
-
5
-
-
3042588230
-
Hydrogen tunneling in quinoproteins
-
Masgrau L., Basran J., Hothi P., Sutclifie M., and Scrutton N. Hydrogen tunneling in quinoproteins. Arch. Biochem. Biophys. 428 (2004) 41-51
-
(2004)
Arch. Biochem. Biophys.
, vol.428
, pp. 41-51
-
-
Masgrau, L.1
Basran, J.2
Hothi, P.3
Sutclifie, M.4
Scrutton, N.5
-
6
-
-
33748589503
-
Isotope effects and quantum tunneling in enzyme-catalyzed hydrogen transfer. Part I. The experimental basis
-
Romesberg F., and Schowen R. Isotope effects and quantum tunneling in enzyme-catalyzed hydrogen transfer. Part I. The experimental basis. Adv. Phys. Org. Chem. 39 (2004) 27-77
-
(2004)
Adv. Phys. Org. Chem.
, vol.39
, pp. 27-77
-
-
Romesberg, F.1
Schowen, R.2
-
7
-
-
33749492843
-
Probes for hydrogen tunneling and coupled motion in enzymatic systems
-
Schowen R., Klinman J., and Hynes J. (Eds), Wiley, Weinheim
-
Kohen A. Probes for hydrogen tunneling and coupled motion in enzymatic systems. In: Schowen R., Klinman J., and Hynes J. (Eds). Handbook of Hydrogen, Vol. 2: Biological Aspects of Hydrogen Transfer (2005), Wiley, Weinheim
-
(2005)
Handbook of Hydrogen, Vol. 2: Biological Aspects of Hydrogen Transfer
-
-
Kohen, A.1
-
9
-
-
0022004980
-
Electron transfers in chemistry and biology
-
Marcus R.A., and Sutin N. Electron transfers in chemistry and biology. Biochim. Biophys. Acta. 811 (1985) 265-322
-
(1985)
Biochim. Biophys. Acta.
, vol.811
, pp. 265-322
-
-
Marcus, R.A.1
Sutin, N.2
-
10
-
-
36449000988
-
Quantum rates for a double well coupled to a dissipative bath: accurate path integral results and comparison with approximate theories
-
Topaler M., and Makri N. Quantum rates for a double well coupled to a dissipative bath: accurate path integral results and comparison with approximate theories. J. Chem. Phys. 101 (1994) 7500-7519
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7500-7519
-
-
Topaler, M.1
Makri, N.2
-
11
-
-
0001378703
-
Quantum activated rates: an evolution operator approach
-
Schwartz S.D. Quantum activated rates: an evolution operator approach. J. Chem. Phys. 105 (1996) 6871-6879
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 6871-6879
-
-
Schwartz, S.D.1
-
12
-
-
0347193736
-
Reaction-rate theory: fifty years after Kramers
-
Hänggi P., Talkner P., and Borkovec M. Reaction-rate theory: fifty years after Kramers. Rev. Mod. Phys. 62 (1990) 251-341
-
(1990)
Rev. Mod. Phys.
, vol.62
, pp. 251-341
-
-
Hänggi, P.1
Talkner, P.2
Borkovec, M.3
-
13
-
-
0000458906
-
Calculation of dynamic friction on intramolecular degrees of freedom
-
Straub J.E., Borkovec M., and Berne B.J. Calculation of dynamic friction on intramolecular degrees of freedom. J. Phys. Chem. 91 (1987) 4995-4998
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 4995-4998
-
-
Straub, J.E.1
Borkovec, M.2
Berne, B.J.3
-
14
-
-
18844402460
-
Nonlinear generalized Langevin equations
-
Zwanzig R. Nonlinear generalized Langevin equations. J. Stat. Phys. 9 (1973) 215-220
-
(1973)
J. Stat. Phys.
, vol.9
, pp. 215-220
-
-
Zwanzig, R.1
-
15
-
-
85056406805
-
Variational transition state theory and multidimensional tunneling for simple and complex reactions in the gas phase, solids, liquids, and enzymes
-
Kohen A., and Limbach H. (Eds), Marcel Dekker, New York
-
Truhlar D. Variational transition state theory and multidimensional tunneling for simple and complex reactions in the gas phase, solids, liquids, and enzymes. In: Kohen A., and Limbach H. (Eds). Isotope Effects in Chemistry and Biology (2005), Marcel Dekker, New York
-
(2005)
Isotope Effects in Chemistry and Biology
-
-
Truhlar, D.1
-
16
-
-
0001784518
-
Proton transfer reactions
-
Cooper A., Houben J., and Chien L. (Eds), Plenum, New York p. 293
-
Borgis D., and Hynes J.T. Proton transfer reactions. In: Cooper A., Houben J., and Chien L. (Eds). The Enzyme Catalysis Process (1989), Plenum, New York p. 293
-
(1989)
The Enzyme Catalysis Process
-
-
Borgis, D.1
Hynes, J.T.2
-
17
-
-
5544259571
-
Molecular dynamics simulation for a model nonadiabatic proton transfer reactions in solution
-
Borgis D., and Hynes J.T. Molecular dynamics simulation for a model nonadiabatic proton transfer reactions in solution. J. Chem. Phys. 94 (1991) 3619-3628
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 3619-3628
-
-
Borgis, D.1
Hynes, J.T.2
-
18
-
-
11344269742
-
Kinetic isotope effects for nonadiabatic proton transfer reactions in a polar environment: 1 Interpretation of tunneling kinetic isotopic effects
-
Kiefer P., and Hynes J. Kinetic isotope effects for nonadiabatic proton transfer reactions in a polar environment: 1 Interpretation of tunneling kinetic isotopic effects. J. Phys. Chem. A. 108 (2004) 11793-11808
-
(2004)
J. Phys. Chem. A.
, vol.108
, pp. 11793-11808
-
-
Kiefer, P.1
Hynes, J.2
-
19
-
-
0002577737
-
The theory of cryochemical reaction rates in the Leggett formalism
-
Benderskii V., Goldanskii V., and Makarov D. The theory of cryochemical reaction rates in the Leggett formalism. Chem. Phys. Lett. 171 (1990) 91-96
-
(1990)
Chem. Phys. Lett.
, vol.171
, pp. 91-96
-
-
Benderskii, V.1
Goldanskii, V.2
Makarov, D.3
-
20
-
-
11744322797
-
Low-temperature chemical reactions. Effect of symmetrically coupled vibrations in collinear exchange reactions
-
Benderskii V., Goldanskii V., and Makarov D. Low-temperature chemical reactions. Effect of symmetrically coupled vibrations in collinear exchange reactions. Chem. Phys. 154 (1991) 407-424
-
(1991)
Chem. Phys.
, vol.154
, pp. 407-424
-
-
Benderskii, V.1
Goldanskii, V.2
Makarov, D.3
-
22
-
-
0347866726
-
Activated chemistry in the presence of a strongly symmetrically coupled vibration
-
Antoniou D., and Schwartz S.D. Activated chemistry in the presence of a strongly symmetrically coupled vibration. J. Chem. Phys. 108 (1998) 3620-3625
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3620-3625
-
-
Antoniou, D.1
Schwartz, S.D.2
-
23
-
-
7044254777
-
Transition path sampling study of classical rate-promoting vibrations
-
Antoniou D., Abolfath M.R., and Schwartz S.D. Transition path sampling study of classical rate-promoting vibrations. J. Chem. Phys. 121 (2004) 6442-6447
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 6442-6447
-
-
Antoniou, D.1
Abolfath, M.R.2
Schwartz, S.D.3
-
24
-
-
0001150222
-
Importance of nonseparability in quantum mechanical transition state theory
-
Miller W.H. Importance of nonseparability in quantum mechanical transition state theory. Acc. Chem. Res. 9 (1976) 306-312
-
(1976)
Acc. Chem. Res.
, vol.9
, pp. 306-312
-
-
Miller, W.H.1
-
25
-
-
33748274620
-
Nonequilibrium solvation dynamics in solution reactions
-
van der Zwan G., and Hynes J.T. Nonequilibrium solvation dynamics in solution reactions. J. Chem. Phys. 78 (1983) 4174-4185
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4174-4185
-
-
van der Zwan, G.1
Hynes, J.T.2
-
27
-
-
0035249366
-
A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases
-
Caratzoulas S., and Schwartz S.D. A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases. J. Chem. Phys. 114 (2001) 2910-2918
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2910-2918
-
-
Caratzoulas, S.1
Schwartz, S.D.2
-
28
-
-
0032560505
-
Adjustment of conformational flexibility is a key event in the thermal adaptation of protein
-
Zavodszky P., Kardos J., Svingor A., and Petsko G. Adjustment of conformational flexibility is a key event in the thermal adaptation of protein. Proc. Natl. Acad. Sci. USA 95 (1998) 7406-7411
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 7406-7411
-
-
Zavodszky, P.1
Kardos, J.2
Svingor, A.3
Petsko, G.4
-
29
-
-
0033519723
-
Enzyme dynamics and hydrogen tunneling in a thermophilic alcohol dehydrogenase
-
Kohen A., Cannio R., Bartolucci S., and Klinman J. Enzyme dynamics and hydrogen tunneling in a thermophilic alcohol dehydrogenase. Nature 399 (1999) 496-499
-
(1999)
Nature
, vol.399
, pp. 496-499
-
-
Kohen, A.1
Cannio, R.2
Bartolucci, S.3
Klinman, J.4
-
30
-
-
0035859446
-
Internal enzyme motions as a source of catalytic activity: rate promoting vibrations and hydrogen tunneling
-
Antoniou D., and Schwartz S.D. Internal enzyme motions as a source of catalytic activity: rate promoting vibrations and hydrogen tunneling. J. Phys. Chem. B 105 (2001) 5553-5558
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 5553-5558
-
-
Antoniou, D.1
Schwartz, S.D.2
-
31
-
-
0037012441
-
Identification of a protein promoting vibration in the reaction catalyzed by horse liver alcohol dehydrogenase
-
Caratzoulas S., Mincer J.S., and Schwartz S.D. Identification of a protein promoting vibration in the reaction catalyzed by horse liver alcohol dehydrogenase. J. Am. Chem. Soc. 124 (2002) 3270-3276
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 3270-3276
-
-
Caratzoulas, S.1
Mincer, J.S.2
Schwartz, S.D.3
-
32
-
-
0032817216
-
2OH on the distance between reactants when catalyzed by horse liver alcohol dehydrogenase and 203 single point mutants
-
2OH on the distance between reactants when catalyzed by horse liver alcohol dehydrogenase and 203 single point mutants. Bioorg. Chem. 27 (1999) 289-296
-
(1999)
Bioorg. Chem.
, vol.27
, pp. 289-296
-
-
Luo, J.1
Kahn, K.2
Bruice, T.C.3
-
33
-
-
0037104752
-
Promoting modes and demoting modes in enzyme-catalyzed proton transfer reactions: a study of models and realistic systems
-
Cui Q., and Karplus M. Promoting modes and demoting modes in enzyme-catalyzed proton transfer reactions: a study of models and realistic systems. J. Phys. Chem. B 106 (2002) 7927-7947
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 7927-7947
-
-
Cui, Q.1
Karplus, M.2
-
34
-
-
1042282260
-
Donor-acceptor distance and protein promoting vibration coupling to hydride transfer: a possible mechanism for kinetic control in isozymes of human lactate dehydrogenase
-
Basner J.E., and Schwartz S.D. Donor-acceptor distance and protein promoting vibration coupling to hydride transfer: a possible mechanism for kinetic control in isozymes of human lactate dehydrogenase. J. Phys. Chem. B 108 (2004) 444-451
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 444-451
-
-
Basner, J.E.1
Schwartz, S.D.2
-
35
-
-
10044273966
-
Promoting vibrations in human PNP: a molecular dynamics and hybrid quantum mechanical/molecular mechanical study
-
Núñez S., Antoniou D., Schramm V.L., and Schwartz S.D. Promoting vibrations in human PNP: a molecular dynamics and hybrid quantum mechanical/molecular mechanical study. J. Am. Chem. Soc. 126 (2004) 15720-15729
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 15720-15729
-
-
Núñez, S.1
Antoniou, D.2
Schramm, V.L.3
Schwartz, S.D.4
-
36
-
-
1042299983
-
Transition state analysis for human and plasmodium falciparum purine nucleoside phosphorylases
-
Lewandowicz A., and Schramm V.L. Transition state analysis for human and plasmodium falciparum purine nucleoside phosphorylases. Biochemistry 43 (2004) 1458-1468
-
(2004)
Biochemistry
, vol.43
, pp. 1458-1468
-
-
Lewandowicz, A.1
Schramm, V.L.2
-
37
-
-
0041472499
-
Enzymatic transition state poise and transition state analogues
-
Schramm V.L. Enzymatic transition state poise and transition state analogues. Acc. Chem. Res. 36 (2003) 588-596
-
(2003)
Acc. Chem. Res.
, vol.36
, pp. 588-596
-
-
Schramm, V.L.1
-
38
-
-
0035969964
-
Transition state structure of PNP and principles of atomic motion in enzymatic catalysis
-
Fedorov A., Shi W., Kicska G., Fedorov E., Tyler P.C., Furneaux R.H., Hanson J.C., Gainsford G.J., Larese J.Z., Schramm V.L., and Almo S.C. Transition state structure of PNP and principles of atomic motion in enzymatic catalysis. Biochemistry 40 (2001) 853-860
-
(2001)
Biochemistry
, vol.40
, pp. 853-860
-
-
Fedorov, A.1
Shi, W.2
Kicska, G.3
Fedorov, E.4
Tyler, P.C.5
Furneaux, R.H.6
Hanson, J.C.7
Gainsford, G.J.8
Larese, J.Z.9
Schramm, V.L.10
Almo, S.C.11
-
39
-
-
12144251753
-
Coupling protein dynamics to reaction center electron density in enzymes: an electronic protein promoting vibration in human purine nucleoside phosphorylase
-
Mincer J.S., Núñez S., and Schwartz S.D. Coupling protein dynamics to reaction center electron density in enzymes: an electronic protein promoting vibration in human purine nucleoside phosphorylase. J. Theor. Comp. Chem. 3 (2004) 501-509
-
(2004)
J. Theor. Comp. Chem.
, vol.3
, pp. 501-509
-
-
Mincer, J.S.1
Núñez, S.2
Schwartz, S.D.3
-
40
-
-
0000729781
-
Transition path sampling and the calculation of rate constants
-
Dellago C., Bolhuis P., Csajka F., and Chandler D. Transition path sampling and the calculation of rate constants. J. Chem. Phys. 108 (1998) 1964-1977
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1964-1977
-
-
Dellago, C.1
Bolhuis, P.2
Csajka, F.3
Chandler, D.4
-
41
-
-
0012261568
-
Bridging the time scale gap with transition path sampling
-
Nielaba P., Mareschal M., and Ciccotti G. (Eds), Springer Verlag, New York
-
Dellago C., and Chandler D. Bridging the time scale gap with transition path sampling. In: Nielaba P., Mareschal M., and Ciccotti G. (Eds). Bridging the Time Scales: Molecular Simulations for the Next Decade (Vol. 605 of Lecture Notes in Physics) (2003), Springer Verlag, New York
-
(2003)
Bridging the Time Scales: Molecular Simulations for the Next Decade (Vol. 605 of Lecture Notes in Physics)
-
-
Dellago, C.1
Chandler, D.2
-
42
-
-
26444486352
-
How enzyme dynamics helps catalyze a reaction, in atomic detail: a transition path sampling study, J
-
Basner J.E., and Schwartz S.D. How enzyme dynamics helps catalyze a reaction, in atomic detail: a transition path sampling study, J. Am. Chem. Soc. 127 (2005) 13822-13831
-
(2005)
Am. Chem. Soc.
, vol.127
, pp. 13822-13831
-
-
Basner, J.E.1
Schwartz, S.D.2
-
43
-
-
1942437505
-
Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase β's closing
-
Radhakrishnan R., and Schlick T. Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase β's closing. Proc. Natl. Acad. Sci. USA 101 (2004) 5970-5975
-
(2004)
Proc. Natl. Acad. Sci. USA
, vol.101
, pp. 5970-5975
-
-
Radhakrishnan, R.1
Schlick, T.2
-
45
-
-
0029811307
-
An extended sampling of the configurational space of HPr from E. coli
-
de Groot B.L., Amadei A., Scheek R.M., van Nuland N.A.J., and Berendsen H.J.C. An extended sampling of the configurational space of HPr from E. coli. Proteins 26 (1996) 314-322
-
(1996)
Proteins
, vol.26
, pp. 314-322
-
-
de Groot, B.L.1
Amadei, A.2
Scheek, R.M.3
van Nuland, N.A.J.4
Berendsen, H.J.C.5
-
46
-
-
31544456090
-
Insight into catalytically relevant correlated motions in human purine nucleoside phosphorylase, J
-
Núñez S., Wing C., Antoniou D., Schramm V.L., and Schwartz S.D. Insight into catalytically relevant correlated motions in human purine nucleoside phosphorylase, J. Phys. Chem. A 110 (2006) 463-472
-
(2006)
Phys. Chem. A
, vol.110
, pp. 463-472
-
-
Núñez, S.1
Wing, C.2
Antoniou, D.3
Schramm, V.L.4
Schwartz, S.D.5
-
47
-
-
0030817010
-
Purine nucleoside phosphorylase. 1. Structure-function studies
-
Erion M.D., Takabayashi K., Smith H., Kessi J., Wagner S., Honger S., Shames S., and Ealick S.E. Purine nucleoside phosphorylase. 1. Structure-function studies. Biochemistry 36 (1997) 11725-11734
-
(1997)
Biochemistry
, vol.36
, pp. 11725-11734
-
-
Erion, M.D.1
Takabayashi, K.2
Smith, H.3
Kessi, J.4
Wagner, S.5
Honger, S.6
Shames, S.7
Ealick, S.E.8
-
49
-
-
0035928796
-
Backbone dynamics in dihydrofolate reductase complexes: role of loop flexibility in the catalytic mechanism
-
Osborne M., Schnell J., Benkovic S., Dyson H., and Wright P. Backbone dynamics in dihydrofolate reductase complexes: role of loop flexibility in the catalytic mechanism. Biochemistry 40 (2001) 9846-9859
-
(2001)
Biochemistry
, vol.40
, pp. 9846-9859
-
-
Osborne, M.1
Schnell, J.2
Benkovic, S.3
Dyson, H.4
Wright, P.5
-
50
-
-
0031015737
-
Loop and subdomain movements in the mechanism of E. coli dihydrofolate reductase: crystallographic evidence
-
Sawaya M., and Kraut J. Loop and subdomain movements in the mechanism of E. coli dihydrofolate reductase: crystallographic evidence. Biochemistry 36 (1997) 586-603
-
(1997)
Biochemistry
, vol.36
, pp. 586-603
-
-
Sawaya, M.1
Kraut, J.2
-
51
-
-
0037159205
-
Coupling interactions of distal residues enhance dihydrofolate reductase catalysis: mutational effects on hydride ransfer rates
-
Rajagopalan P., Lutz S., and Benkovic S. Coupling interactions of distal residues enhance dihydrofolate reductase catalysis: mutational effects on hydride ransfer rates. Biochemistry 41 (2002) 12618-12628
-
(2002)
Biochemistry
, vol.41
, pp. 12618-12628
-
-
Rajagopalan, P.1
Lutz, S.2
Benkovic, S.3
-
52
-
-
0033955055
-
Protein dynamics in enzymatic catalysis: exploration of dihydrofolate reductase
-
Radkiewicz J., and Brooks C.L. Protein dynamics in enzymatic catalysis: exploration of dihydrofolate reductase. J. Am. Chem. Soc. 122 (2000) 225-231
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 225-231
-
-
Radkiewicz, J.1
Brooks, C.L.2
-
53
-
-
0344391945
-
Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase
-
Garcia-Viloca M., Truhlar D., and Gao J. Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase. Biochemistry 42 (2003) 13558-13575
-
(2003)
Biochemistry
, vol.42
, pp. 13558-13575
-
-
Garcia-Viloca, M.1
Truhlar, D.2
Gao, J.3
-
54
-
-
1842839777
-
Quantum-classical simulation methods for hydrogen transfer in enzymes: a case study of dihydrofolate reductase
-
Hammes-Schiffer S. Quantum-classical simulation methods for hydrogen transfer in enzymes: a case study of dihydrofolate reductase. Curr. Opin. Struct. Biol. 14 (2004) 192-201
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 192-201
-
-
Hammes-Schiffer, S.1
-
55
-
-
6344294816
-
The coupling of structural fluctuations to hydride transfer in dihydrofolate reductase
-
Thorpe I., and Brooks C. The coupling of structural fluctuations to hydride transfer in dihydrofolate reductase. Proteins: Struct. Funct. Bioinf. 57 (2004) 444-457
-
(2004)
Proteins: Struct. Funct. Bioinf.
, vol.57
, pp. 444-457
-
-
Thorpe, I.1
Brooks, C.2
-
56
-
-
4244134441
-
Topography and dynamics of multidimensional interatomic potential surfaces
-
Berry R.S., and Kunz R. Topography and dynamics of multidimensional interatomic potential surfaces. Phys. Rev. Lett. 20 (1995) 3951-3954
-
(1995)
Phys. Rev. Lett.
, vol.20
, pp. 3951-3954
-
-
Berry, R.S.1
Kunz, R.2
-
57
-
-
0000370391
-
The topology of multidimensional potential energy surfaces: theory and application to peptide structure and kinetics
-
Becker O., and Karplus M. The topology of multidimensional potential energy surfaces: theory and application to peptide structure and kinetics. J. Chem. Phys. 106 (1997) 1495-1517
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1495-1517
-
-
Becker, O.1
Karplus, M.2
-
58
-
-
0031055306
-
Geometrical versus topological clustering: insight into conformation mapping
-
Becker O. Geometrical versus topological clustering: insight into conformation mapping. Proteins: Struct. Funct. Genet. 27 (1997) 213-226
-
(1997)
Proteins: Struct. Funct. Genet.
, vol.27
, pp. 213-226
-
-
Becker, O.1
-
59
-
-
0026320866
-
The energy landscapes and motions of proteins
-
Frauenfelder H., Sligar S., and Wolynes P. The energy landscapes and motions of proteins. Science 254 (1991) 1598-1603
-
(1991)
Science
, vol.254
, pp. 1598-1603
-
-
Frauenfelder, H.1
Sligar, S.2
Wolynes, P.3
-
60
-
-
12944327750
-
Energy landscapes and solved protein-folding problems
-
Wolynes P. Energy landscapes and solved protein-folding problems. Phil. Trans. Roy. Soc. Lond. A 363 (2005) 453-464
-
(2005)
Phil. Trans. Roy. Soc. Lond. A
, vol.363
, pp. 453-464
-
-
Wolynes, P.1
-
61
-
-
0344951101
-
Interbasin motion approach to dynamics of conformationally constrained peptides
-
Despa F., Fernandez A., Berry R.S., Levy Y., and Jortner J. Interbasin motion approach to dynamics of conformationally constrained peptides. J. Chem. Phys. 118 (2003) 5673-5682
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 5673-5682
-
-
Despa, F.1
Fernandez, A.2
Berry, R.S.3
Levy, Y.4
Jortner, J.5
-
62
-
-
36448998595
-
Theoretical foundations of kinetic Monte Carlo simulations
-
Fichthorn K., and Weinberg W. Theoretical foundations of kinetic Monte Carlo simulations. J. Chem. Phys. 95 (1991) 1090-1096
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1090-1096
-
-
Fichthorn, K.1
Weinberg, W.2
-
63
-
-
0011690680
-
Methods for finding saddle points and minimum energy paths
-
Schwartz S.D. (Ed), Kluwer Academic Publishers, Dordrecht, The Netherlands
-
Henkelman G., Johannesson G., and Jonsson H. Methods for finding saddle points and minimum energy paths. In: Schwartz S.D. (Ed). Theoretical Methods in Condensed Phase Chemistry (2000), Kluwer Academic Publishers, Dordrecht, The Netherlands
-
(2000)
Theoretical Methods in Condensed Phase Chemistry
-
-
Henkelman, G.1
Johannesson, G.2
Jonsson, H.3
-
64
-
-
0344236155
-
The free energy landscape and dynamics of met-enkephalin
-
Evans D., and Wales D. The free energy landscape and dynamics of met-enkephalin. J. Chem. Phys. 119 (2003) 9947-9955
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 9947-9955
-
-
Evans, D.1
Wales, D.2
-
65
-
-
17544365232
-
Finite-temperature string method for the study of rare events
-
Weinan E., Ren W., and Vanden-Eijnden E. Finite-temperature string method for the study of rare events. J. Phys. Chem. B 109 (2005) 6688-6693
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6688-6693
-
-
Weinan, E.1
Ren, W.2
Vanden-Eijnden, E.3
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