-
1
-
-
17844381111
-
A continuous path for the T → R allosteric transition of hemoglobin
-
Olsen, K.; Fischer, S.; Karplus, M. A continuous path for the T → R allosteric transition of hemoglobin. Biophys. J. 2000, 78, 394A.
-
(2000)
Biophys. J
, vol.78
-
-
Olsen, K.1
Fischer, S.2
Karplus, M.3
-
2
-
-
17844400134
-
Structural mechanism of the recovery stroke in the myosin molecular motor
-
Fischer, S.; Windshuegel, B.; Horak, D.; Holmes, K. C.; Smith, J. C. Structural mechanism of the recovery stroke in the myosin molecular motor. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6873.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 6873
-
-
Fischer, S.1
Windshuegel, B.2
Horak, D.3
Holmes, K.C.4
Smith, J.C.5
-
3
-
-
33846256146
-
-
Coleman, M. L.; Marshall, C. J.; Olson, M. F. Ras and Rho GTPases in G1-Phase Cell-Cycle Regulation. Nat. Rev. Mol. Cell Bio. 1993, 62, 851.
-
Coleman, M. L.; Marshall, C. J.; Olson, M. F. Ras and Rho GTPases in G1-Phase Cell-Cycle Regulation. Nat. Rev. Mol. Cell Bio. 1993, 62, 851.
-
-
-
-
4
-
-
0032493812
-
Increasing Complexity of the Ras Signaling Pathway
-
Vojtek, A. B.; Der, C. J. Increasing Complexity of the Ras Signaling Pathway. J. Biol. Chem. 1998, 32, 19925.
-
(1998)
J. Biol. Chem
, vol.32
, pp. 19925
-
-
Vojtek, A.B.1
Der, C.J.2
-
5
-
-
0001471202
-
Multiple time step methods in molecular dynamics
-
Streett, W. B.; Tildesley, D. J.; Saville, G. Multiple time step methods in molecular dynamics. Mol. Phys. 1978, 35, 639.
-
(1978)
Mol. Phys
, vol.35
, pp. 639
-
-
Streett, W.B.1
Tildesley, D.J.2
Saville, G.3
-
6
-
-
84990557178
-
Molecular dynamics by the backward: Euler's method
-
Peskin, C. S.; Schlick, T. Molecular dynamics by the backward: Euler's method. Commun. Pure Appl. Math. 1989, 42, 1001.
-
(1989)
Commun. Pure Appl. Math
, vol.42
, pp. 1001
-
-
Peskin, C.S.1
Schlick, T.2
-
7
-
-
0030918284
-
Biomolecular dynamics at long time steps: Bridging the time scale gap between simulation and experimentation
-
Schlick, T.; Barth, E.; Mandziuk, M. Biomolecular dynamics at long time steps: Bridging the time scale gap between simulation and experimentation. Annu. Rev. Biophys. Biomol. Struct. 1997, 26, 181.
-
(1997)
Annu. Rev. Biophys. Biomol. Struct
, vol.26
, pp. 181
-
-
Schlick, T.1
Barth, E.2
Mandziuk, M.3
-
8
-
-
0035371280
-
Numerical calculations using the hyper-molecular dynamics method
-
Sanz-Navarro, C. F.; Smith, R. Numerical calculations using the hyper-molecular dynamics method. Comput. Phys. Comm. 2001, 137, 206.
-
(2001)
Comput. Phys. Comm
, vol.137
, pp. 206
-
-
Sanz-Navarro, C.F.1
Smith, R.2
-
9
-
-
0027441950
-
Essential dynamics of proteins
-
Amadei, A.; Linssen, A. B.; Berendsen, H. J. C. Essential dynamics of proteins. Proteins 1993, 17, 412.
-
(1993)
Proteins
, vol.17
, pp. 412
-
-
Amadei, A.1
Linssen, A.B.2
Berendsen, H.J.C.3
-
10
-
-
0033573912
-
Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch
-
Krammer, A.; Lu, H.; Isralewitz, B.; Schulten, K.; Vogel, V. Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 1351.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A
, vol.96
, pp. 1351
-
-
Krammer, A.1
Lu, H.2
Isralewitz, B.3
Schulten, K.4
Vogel, V.5
-
11
-
-
0028455053
-
Targeted molecular dynamics: A new approach for searching pathways of conformational transitions
-
Schlitter, J.; Engels, M.; Krüger, P. Targeted molecular dynamics: A new approach for searching pathways of conformational transitions. J. Mol. Graphics 1994, 12, 84.
-
(1994)
J. Mol. Graphics
, vol.12
, pp. 84
-
-
Schlitter, J.1
Engels, M.2
Krüger, P.3
-
13
-
-
17844406890
-
Automated computation of low-energy pathways for complex rearrangements in proteins: Application to the conformational switch of ras p21
-
Noé, F.; Ille, F.; Smith, J. C.; Fischer, S. Automated computation of low-energy pathways for complex rearrangements in proteins: Application to the conformational switch of ras p21. Proteins 2005, 59, 534.
-
(2005)
Proteins
, vol.59
, pp. 534
-
-
Noé, F.1
Ille, F.2
Smith, J.C.3
Fischer, S.4
-
14
-
-
0000689085
-
Predicting slow structural transitions in macromolecular systems: Conformational flooding
-
Grubmüller, H. Predicting slow structural transitions in macromolecular systems: conformational flooding. Phys. Rev. E 1995, 52, 2893.
-
(1995)
Phys. Rev. E
, vol.52
, pp. 2893
-
-
Grubmüller, H.1
-
15
-
-
0031256658
-
The maxflux algorithm for calculating variationally optimized reaction paths for conformational transitions in many body systems at finite temperature
-
Huo, S.; Straub, J. E. The maxflux algorithm for calculating variationally optimized reaction paths for conformational transitions in many body systems at finite temperature. J. Chem. Phys. 1997, 107, 5000.
-
(1997)
J. Chem. Phys
, vol.107
, pp. 5000
-
-
Huo, S.1
Straub, J.E.2
-
16
-
-
0033181019
-
Direct computation of long time processes in peptides and proteins: Reaction path study of the coil-to-helix transition in polyalanine
-
Huo, S.; Straub, J. E. Direct computation of long time processes in peptides and proteins: Reaction path study of the coil-to-helix transition in polyalanine. Proteins 1999, 36, 249.
-
(1999)
Proteins
, vol.36
, pp. 249
-
-
Huo, S.1
Straub, J.E.2
-
17
-
-
84987058840
-
Self-avoiding walk between two fixed points as a tool to calculate reaction paths in large molecular systems
-
Czerminski, R.; Elber, R. Self-avoiding walk between two fixed points as a tool to calculate reaction paths in large molecular systems. Int. J. Quantum Chem. 1990, 24, 167.
-
(1990)
Int. J. Quantum Chem
, vol.24
, pp. 167
-
-
Czerminski, R.1
Elber, R.2
-
18
-
-
0000231955
-
Conjugate peak refinement: An algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
-
Fischer, S.; Karplus, M. Conjugate peak refinement: an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom. Chem. Phys. Lett. 1992, 194, 252.
-
(1992)
Chem. Phys. Lett
, vol.194
, pp. 252
-
-
Fischer, S.1
Karplus, M.2
-
19
-
-
0000220710
-
Nudged Elastic Band Method for Finding Minimum Energy Paths of Transitions
-
Berne, B. J, Ciccotti, G, Coker, D. F, Eds, World Scientific: Singapore
-
Jonsson, H.; Mills, G.; Jacobsen, K. W. Nudged Elastic Band Method for Finding Minimum Energy Paths of Transitions. In Classical and Quantum Dynamics in Condensed Phase Simulations; Berne, B. J., Ciccotti, G., Coker, D. F., Eds.; World Scientific: Singapore, 1998; pp 385-404.
-
(1998)
Classical and Quantum Dynamics in Condensed Phase Simulations
, pp. 385-404
-
-
Jonsson, H.1
Mills, G.2
Jacobsen, K.W.3
-
20
-
-
0034513054
-
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
Henkelman, G.; Uberuaga, B. P.; Jonsson, H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths. J. Chem. Phys. 2000, 113, 9901.
-
(2000)
J. Chem. Phys
, vol.113
, pp. 9901
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
21
-
-
0011690680
-
Methods for Finding Saddle Points and Minimum Energy Paths
-
Schwartz, S. D, Ed, Kluwer Academic: New York
-
Henkelman, G.; Johannesson, G.; Jonsson, H. Methods for Finding Saddle Points and Minimum Energy Paths. In Progress on Theoretical Chemistry and Physics; Schwartz, S. D., Ed.; Kluwer Academic: New York, 2000; pp 269-300.
-
(2000)
Progress on Theoretical Chemistry and Physics
, pp. 269-300
-
-
Henkelman, G.1
Johannesson, G.2
Jonsson, H.3
-
22
-
-
0027742843
-
A mechanism for rotamase catalysis by the fk506 binding protein (fkbp)
-
Fischer, S.; Michnick, S.; Karplus, M. A mechanism for rotamase catalysis by the fk506 binding protein (fkbp). Biochemistry 1993, 32, 13830.
-
(1993)
Biochemistry
, vol.32
, pp. 13830
-
-
Fischer, S.1
Michnick, S.2
Karplus, M.3
-
23
-
-
3142613053
-
Mechanism of primary proton transfer in bacteriorhodopsin
-
Bondar, A. N.; Elstner, M.; Suhai, S.; Smith, J. C.; Fischer, S. Mechanism of primary proton transfer in bacteriorhodopsin. Structure 2004, 12, 1281.
-
(2004)
Structure
, vol.12
, pp. 1281
-
-
Bondar, A.N.1
Elstner, M.2
Suhai, S.3
Smith, J.C.4
Fischer, S.5
-
24
-
-
17044402537
-
Mechanism of a molecular valve in the halorhodopsin chloride pump
-
Gruia, A. D.; Bondar, A. N.; Smith, J. C.; Fischer, S. Mechanism of a molecular valve in the halorhodopsin chloride pump. Structure 2005, 13, 617.
-
(2005)
Structure
, vol.13
, pp. 617
-
-
Gruia, A.D.1
Bondar, A.N.2
Smith, J.C.3
Fischer, S.4
-
26
-
-
11344259128
-
A topographic view of supercooled liquids and glass formation
-
Stillinger, F. H. A topographic view of supercooled liquids and glass formation. Science 1995, 267, 1935.
-
(1995)
Science
, vol.267
, pp. 1935
-
-
Stillinger, F.H.1
-
27
-
-
0024722571
-
Reaction path study of conformational transitions and helix formation in a tetrapeptide
-
Czerminski, R.; Elber, R. Reaction path study of conformational transitions and helix formation in a tetrapeptide. Proc. Natl. Acad. Sci. U.S.A. 1989, 86, 6963.
-
(1989)
Proc. Natl. Acad. Sci. U.S.A
, vol.86
, pp. 6963
-
-
Czerminski, R.1
Elber, R.2
-
28
-
-
0000191981
-
Reaction path study of conformational transitions in flexible systems: Application to peptides
-
Czerminski, R.; Elber, R. Reaction path study of conformational transitions in flexible systems: Application to peptides. J. Chem. Phys. 1990, 92, 5580.
-
(1990)
J. Chem. Phys
, vol.92
, pp. 5580
-
-
Czerminski, R.1
Elber, R.2
-
29
-
-
4244134441
-
Topography and dynamics of multidimensional interatomic potential surfaces
-
Berry, R. S.; Breitengraser-Kunz, R. Topography and dynamics of multidimensional interatomic potential surfaces. Phys. Rev. Lett. 1995, 74, 3951.
-
(1995)
Phys. Rev. Lett
, vol.74
, pp. 3951
-
-
Berry, R.S.1
Breitengraser-Kunz, R.2
-
30
-
-
0000078483
-
-
Wales, D. J. Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces. Science 1996, 271, 925.
-
Wales, D. J. Structure, Dynamics, and Thermodynamics of Clusters: Tales from Topographic Potential Surfaces. Science 1996, 271, 925.
-
-
-
-
31
-
-
0001366381
-
From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters
-
Ball, K. D.; Berry, R. S.; Kunz, R. E.; Li, F.-Y.; Proykova, A.; Wales, D. J. From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters. Science 1996, 271, 963.
-
(1996)
Science
, vol.271
, pp. 963
-
-
Ball, K.D.1
Berry, R.S.2
Kunz, R.E.3
Li, F.-Y.4
Proykova, A.5
Wales, D.J.6
-
32
-
-
0000370391
-
The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics
-
Becker, O. M.; Karplus, M. The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics. J. Chem. Phys. 1996, 106, 1495.
-
(1996)
J. Chem. Phys
, vol.106
, pp. 1495
-
-
Becker, O.M.1
Karplus, M.2
-
33
-
-
0000183399
-
Effect of conformational constraints on the topography of complex potential energy surfaces
-
Levy, Y.; Becker, O. M. Effect of conformational constraints on the topography of complex potential energy surfaces. Phys. Rev. Lett. 1998, 81, 1126.
-
(1998)
Phys. Rev. Lett
, vol.81
, pp. 1126
-
-
Levy, Y.1
Becker, O.M.2
-
34
-
-
0001764256
-
-
Miller, M. A.; Wales, D. J. Energy landscape of a model protein. J. Chem. Phys. 1999, 111, 6610.
-
Miller, M. A.; Wales, D. J. Energy landscape of a model protein. J. Chem. Phys. 1999, 111, 6610.
-
-
-
-
35
-
-
0035826482
-
-
8NHMe. J. Chem. Phys. 2001, 114, 6443.
-
8NHMe. J. Chem. Phys. 2001, 114, 6443.
-
-
-
-
36
-
-
0035128033
-
Energy landscapes of conformationally constrained peptides
-
Levy, Y.; Becker, O. M. Energy landscapes of conformationally constrained peptides. J. Chem. Phys. 2001, 114, 993.
-
(2001)
J. Chem. Phys
, vol.114
, pp. 993
-
-
Levy, Y.1
Becker, O.M.2
-
37
-
-
0035958744
-
Taking a walk on a landscape
-
Brooks, C. L., III; Onuchic, J. N.; Wales, D. J. Taking a walk on a landscape. Science 2001, 293, 612.
-
(2001)
Science
, vol.293
, pp. 612
-
-
Brooks III, C.L.1
Onuchic, J.N.2
Wales, D.J.3
-
38
-
-
0035830250
-
Dynamics of hierarchical folding on energy landscapes of hexapeptides
-
Levy, Y.; Jortner, J.; Becker, O. M. Dynamics of hierarchical folding on energy landscapes of hexapeptides. J. Chem. Phys. 2001, 115, 10533.
-
(2001)
J. Chem. Phys
, vol.115
, pp. 10533
-
-
Levy, Y.1
Jortner, J.2
Becker, O.M.3
-
39
-
-
0035956901
-
Solvent effects on the energy landscapes and folding kinetics of polyalanines
-
Levy, Y.; Jortner, J.; Becker, O. M. Solvent effects on the energy landscapes and folding kinetics of polyalanines. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 2188.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A
, vol.98
, pp. 2188
-
-
Levy, Y.1
Jortner, J.2
Becker, O.M.3
-
40
-
-
0037100864
-
-
Mortenson, P. N.; Evans, D. A.; Wales, D. J. Energy landscapes of model polyalanines. J. Chem. Phys. 2001, 117, 1363.
-
Mortenson, P. N.; Evans, D. A.; Wales, D. J. Energy landscapes of model polyalanines. J. Chem. Phys. 2001, 117, 1363.
-
-
-
-
41
-
-
0036606794
-
Conformational polymorphism of wild-type and mutant prion proteins: Energy landscape analysis
-
Levy, Y.; Becker, O. M. Conformational polymorphism of wild-type and mutant prion proteins: energy landscape analysis. Proteins 2002, 47, 458.
-
(2002)
Proteins
, vol.47
, pp. 458
-
-
Levy, Y.1
Becker, O.M.2
-
42
-
-
0037460544
-
Free energy landscapes of model peptides and proteins
-
Evans, D. A.; Wales, D. J. Free energy landscapes of model peptides and proteins. J. Chem. Phys. 2003, 118, 3891.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 3891
-
-
Evans, D.A.1
Wales, D.J.2
-
43
-
-
0344236155
-
The free energy landscape and dynamics of met-enkephalin
-
Evans, D. A.; Wales, D. J. The free energy landscape and dynamics of met-enkephalin. J. Chem. Phys. 2003, 119, 9947.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 9947
-
-
Evans, D.A.1
Wales, D.J.2
-
44
-
-
0347319415
-
Stationary points and dynamics in high-dimensional systems
-
Wales, D. J.; Doye, J. P. K. Stationary points and dynamics in high-dimensional systems. J. Chem. Phys. 2003, 119, 12409.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 12409
-
-
Wales, D.J.1
Doye, J.P.K.2
-
45
-
-
3242681886
-
Folding of the gb1 hairpin peptide from discrete path sampling
-
Evans, D. A.; Wales, D. J. Folding of the gb1 hairpin peptide from discrete path sampling. J. Chem. Phys. 2004, 121, 1080.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 1080
-
-
Evans, D.A.1
Wales, D.J.2
-
46
-
-
22944466918
-
Archetypal energy landscapes: Dynamical diagnosis
-
Despa, F.; Wales, D. J.; Berry, R. S. Archetypal energy landscapes: Dynamical diagnosis. J. Chem. Phys. 2005, 122, 024103.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 024103
-
-
Despa, F.1
Wales, D.J.2
Berry, R.S.3
-
47
-
-
0035830250
-
Dynamics of hierarchical folding on energy landscapes of hexapeptides
-
Levy, Y.; Jortner, J.; Becker, O. M. Dynamics of hierarchical folding on energy landscapes of hexapeptides. J. Chem. Phys. 2001, 115, 10533.
-
(2001)
J. Chem. Phys
, vol.115
, pp. 10533
-
-
Levy, Y.1
Jortner, J.2
Becker, O.M.3
-
48
-
-
0037100864
-
-
Miller, M. A.; Doye, J. P. K.; Wales, D. J. Energy landscapes of model polyalanines. J. Chem. Phys. 2002, 117, 1363.
-
Miller, M. A.; Doye, J. P. K.; Wales, D. J. Energy landscapes of model polyalanines. J. Chem. Phys. 2002, 117, 1363.
-
-
-
-
49
-
-
0037145606
-
Discrete path sampling
-
Wales, D. J. Discrete path sampling. Mol. Phys. 2002, 100, 3285.
-
(2002)
Mol. Phys
, vol.100
, pp. 3285
-
-
Wales, D.J.1
-
50
-
-
0242690505
-
Stochastic Road map Simulation: An Efficient Representation and Algorithm for Analyzing Molecular Motion
-
Apaydin, M. S.; Brutlag, D. L.; Guestrin, C.; Hsu, D.; Latombe, J.-C.; Varma, C. Stochastic Road map Simulation: An Efficient Representation and Algorithm for Analyzing Molecular Motion. J. Comput. Bio. 2003, 10, 257.
-
(2003)
J. Comput. Bio
, vol.10
, pp. 257
-
-
Apaydin, M.S.1
Brutlag, D.L.2
Guestrin, C.3
Hsu, D.4
Latombe, J.-C.5
Varma, C.6
-
51
-
-
34147120474
-
A note on two problems in connection with graphs
-
Dijkstra, E. A note on two problems in connection with graphs. Num. Math. 1959, 1, 269.
-
(1959)
Num. Math
, vol.1
, pp. 269
-
-
Dijkstra, E.1
-
52
-
-
0042091834
-
Packing structures and transitions in liquids and solids
-
Stillinger, F. H.; Weber, T. A. Packing structures and transitions in liquids and solids. Science 1984, 228, 983.
-
(1984)
Science
, vol.228
, pp. 983
-
-
Stillinger, F.H.1
Weber, T.A.2
-
54
-
-
0347193736
-
Reaction rate theory: Fifty years after kramers
-
Hänggi, P.; Talkner, P.; Borkovec, M. Reaction rate theory: Fifty years after kramers. Rev. Mod. Phys. 1990, 62, 251.
-
(1990)
Rev. Mod. Phys
, vol.62
, pp. 251
-
-
Hänggi, P.1
Talkner, P.2
Borkovec, M.3
-
55
-
-
0000055722
-
Diffusion-controlled reactions: A variational formula for the optimum reaction coordinate
-
Berkowitz, M.; Morgan, J. D.; McCammon, J. A.; Northrup, S. H. Diffusion-controlled reactions: A variational formula for the optimum reaction coordinate. J. Chem. Phys. 1983, 79, 5563.
-
(1983)
J. Chem. Phys
, vol.79
, pp. 5563
-
-
Berkowitz, M.1
Morgan, J.D.2
McCammon, J.A.3
Northrup, S.H.4
-
56
-
-
0002197305
-
Reaction Path Studies of Biological Molecules
-
Recent Developments in Theoretical Studies of Proteins , World Scientific: Singapore
-
Elber, R. Reaction Path Studies of Biological Molecules. In Recent Developments in Theoretical Studies of Proteins (Advanced Series in Physical Chemistry, Vol. 7); World Scientific: Singapore, 1996.
-
(1996)
Advanced Series in Physical Chemistry
, vol.7
-
-
Elber, R.1
-
58
-
-
0002659735
-
Computing edge connectivity in multigraphs and capacitated graphs
-
Nagamochi, H.; Ibaraki, T. Computing edge connectivity in multigraphs and capacitated graphs. SIAM J. Discr. Math. 1992, 5, 54.
-
(1992)
SIAM J. Discr. Math
, vol.5
, pp. 54
-
-
Nagamochi, H.1
Ibaraki, T.2
-
59
-
-
0029888335
-
Polypeptide folding with off-lattice Monte Carlo dynamics: The method
-
Hoffmann, D.; Knapp, E.-W. Polypeptide folding with off-lattice Monte Carlo dynamics: the method. Eur. Biophysics J. 1996, 24, 387.
-
(1996)
Eur. Biophysics J
, vol.24
, pp. 387
-
-
Hoffmann, D.1
Knapp, E.-W.2
-
60
-
-
0037460578
-
Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer
-
Mezei, M. Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer. J. Chem. Phys. 2003, 118, 3874.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 3874
-
-
Mezei, M.1
-
62
-
-
0025310575
-
Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 Å resolution: Implications for the mechanism of GTP hydrolysis
-
Pai, E. F.; Krengel, U.; Petsko, G. A.; Goody, R. S.; Kabsch, W. and Wittinghofer, A. Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 Å resolution: implications for the mechanism of GTP hydrolysis. EMBO J. 1990, 9, 2351.
-
(1990)
EMBO J
, vol.9
, pp. 2351
-
-
Pai, E.F.1
Krengel, U.2
Petsko, G.A.3
Goody, R.S.4
Kabsch, W.5
Wittinghofer, A.6
-
63
-
-
0026086679
-
Crystal structures at 2.2 Å resolution of the catalytic domains of normal ras protein and an oncogenic mutant complexed with GDP
-
Tong, L. A.; de Vos, A.; Milburn, M. V.; Kim, S. H. Crystal structures at 2.2 Å resolution of the catalytic domains of normal ras protein and an oncogenic mutant complexed with GDP. J. Mol. Biol. 1991, 217, 503.
-
(1991)
J. Mol. Biol
, vol.217
, pp. 503
-
-
Tong, L.A.1
de Vos, A.2
Milburn, M.V.3
Kim, S.H.4
-
64
-
-
84986512474
-
Charmm: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. Charmm: A program for macromolecular energy, minimization, and dynamics calculations. J. Comput. Chem. 1983, 4, 187.
-
(1983)
J. Comput. Chem
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
65
-
-
0000036869
-
Simulation of activation free energies in molecular systems
-
Neria, E.; Fischer, S.; Karplus, M. Simulation of activation free energies in molecular systems. J. Chem. Phys. 1996, 105, 1902.
-
(1996)
J. Chem. Phys
, vol.105
, pp. 1902
-
-
Neria, E.1
Fischer, S.2
Karplus, M.3
-
66
-
-
0012227656
-
-
Schaefer, M.; Karplus, M. A Comprehensive Analytical Treatment of Continuum Electrostatics. J. Chem. Phys. 1996, 100, 1578.
-
Schaefer, M.; Karplus, M. A Comprehensive Analytical Treatment of Continuum Electrostatics. J. Chem. Phys. 1996, 100, 1578.
-
-
-
-
67
-
-
0025195630
-
NRAS, the NMS protooncoge ne product, is accompanied by a conformational change in the wild-type protein. Use of a single fluorescent probe at the catalytic site
-
NRAS, the NMS protooncoge ne product, is accompanied by a conformational change in the wild-type protein. Use of a single fluorescent probe at the catalytic site. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 3562.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A
, vol.87
, pp. 3562
-
-
Neal, S.E.1
Eccleston, J.F.2
Webb, M.R.3
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