-
1
-
-
0033613131
-
A theoretical search for folding/unfolding nuclei in three-dimensional protein structure
-
Galzitskaya, O. V.; Finkclstein, A. V. A theoretical search for folding/unfolding nuclei in three-dimensional protein structure. Proc. Nail. Accui. Sci. U.S.A. 1999. 96, 11299- 11304.
-
(1999)
Proc. Nail. Accui. Sci. U.S.A
, vol.96
, pp. 11299-11304
-
-
Galzitskaya, O.V.1
Finkclstein, A.V.2
-
2
-
-
0034804341
-
Can non-mechanical proteins withstand force? Stretching barnasc by atomic force microscopy and molecular dynamics simulation
-
Best, R. B.; Li, B.; Steward, A.; Daggett, V.; Clarke, J.Can non-mechanical proteins withstand force? Stretching barnasc by atomic force microscopy and molecular dynamics simulation. Biophys. J. 2001. 81, 2344-2356.
-
(2001)
Biophys. J
, vol.81
, pp. 2344-2356
-
-
Best, R.B.1
Li, B.2
Steward, A.3
Daggett, V.4
Clarke, J.5
-
3
-
-
20544465799
-
Mechanical unfolding of TNfn3: The unfolding pathway of a fnlll domain probed by protein engineering, AFM and MD simulation
-
Ng, S. P.; Rounsevcll, R. W. S.; Steward, A.; Geierhaas, C. D.; Williams, P. M.; Paci, E.; Clarke, J. Mechanical unfolding of TNfn3: The unfolding pathway of a fnlll domain probed by protein engineering, AFM and MD simulation. J. Mol. Biol. 2005, 350, 776-789.
-
(2005)
J. Mol. Biol.
, vol.350
, pp. 776-789
-
-
Ng, S.P.1
Rounsevcll, R.W.S.2
Steward, A.3
Geierhaas, C.D.4
Williams, P.M.5
Paci, E.6
Clarke, J.7
-
4
-
-
49149088606
-
Analysis of the unfolding process of green fluorescent protein by molecular dynamics simulation
-
Hisatomi, Y.; Katagiri, D.; Neya, S.; Hara, M.; Hoshino, T. Analysis of the unfolding process of green fluorescent protein by molecular dynamics simulation. J. Phys. Chem. li 2008. 112 (29), 8672-8680.
-
(2008)
J. Phys. Chem. Li
, vol.112
, Issue.29
, pp. 8672-8680
-
-
Hisatomi, Y.1
Katagiri, D.2
Neya, S.3
Hara, M.4
Hoshino, T.5
-
5
-
-
0034610360
-
Protein folding and unfolding in microseconds to nanoseconds by experiment and simulation
-
Mayor, U.; Johnson, C. M.; Daggett, V.; Fcrsht, A. R. Protein folding and unfolding in microseconds to nanoseconds by experiment and simulation. Proc. Noll. Acad. Sci. U.S.A. 2000. 97, 13518-13522.
-
(2000)
Proc. Noll. Acad. Sci. U.S.A
, vol.97
, pp. 13518-13522
-
-
Mayor, U.1
Johnson, C.M.2
Daggett, V.3
Fcrsht, A.R.4
-
6
-
-
0031848099
-
Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation
-
Lu, H.; Isralewit, B.; Krammer, A.; Vogel, V.; Schulten, K. Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation. Biophys. J. 1998, 75, 662-671.
-
(1998)
Biophys. J.
, vol.75
, pp. 662-671
-
-
Lu, H.1
Isralewit, B.2
Krammer, A.3
Vogel, V.4
Schulten, K.5
-
7
-
-
18844398202
-
Mechanically induced titin kinase activation studied by force- probe molecular dynamics simulations
-
Grater, F.; Shen, J.; Jiang, H.; Gautcl, M.; Grubmuller, H. Mechanically induced titin kinase activation studied by force- probe molecular dynamics simulations. Biophys. J. 2005, 88, 790-804.
-
(2005)
Biophys. J
, vol.88
, pp. 790-804
-
-
Grater, F.1
Shen, J.2
Jiang, H.3
Gautcl, M.4
Grubmuller, H.5
-
8
-
-
0036428792
-
Identifying unfolding intermediates of FN-III10 by steered molecular dynamics
-
Gao, M.; Craig, D.; Vogel, V.; Schulten, K. Identifying unfolding intermediates of FN-III10 by steered molecular dynamics. J. Mol. Biol. 2002. 323, 939-950.
-
(2002)
J. Mol. Biol
, vol.323
, pp. 939-950
-
-
Gao, M.1
Craig, D.2
Vogel, V.3
Schulten, K.4
-
9
-
-
0033151955
-
Steered molecular dynamics simulations of force-induced protein domain unfolding
-
Lu, H.; Schulten, K. Steered molecular dynamics simulations of force-induced protein domain unfolding. Proteins 1999. 35, 453-463.
-
(1999)
Proteins
, vol.35
, pp. 453-463
-
-
Lu, H.1
Schulten, K.2
-
10
-
-
0022617388
-
Neuropeptide Y: Anatomical distribution and possible function in mammalian nervous system
-
Gray, T.; Morley, J. Neuropeptide Y: Anatomical distribution and possible function in mammalian nervous system. Life Sci. 1986. 38. 389-401.
-
(1986)
Life Sci
, vol.38
, pp. 389-401
-
-
Gray, T.1
Morley, J.2
-
11
-
-
0026792438
-
Neuropeptide Y and neuropeptide Y receptor subtypes in brain and peripheral tissues
-
Dumont, Y.; Fournier, A.; Quirion, R. Neuropeptide Y and neuropeptide Y receptor subtypes in brain and peripheral tissues. Progr. Neurobiol. 1992, 38, 125-167.
-
(1992)
Progr. Neurobiol
, vol.38
, pp. 125-167
-
-
Dumont, Y.1
Fournier, A.2
Quirion, R.3
-
13
-
-
0030590483
-
Structural diversity of receptors for neuropeptide Y, peptide YY and pancreatic polypeptide
-
Larhammar, D. Structural diversity of receptors for neuropeptide Y, peptide YY and pancreatic polypeptide. Regul. Pept. 1996. 65, 165-174.
-
(1996)
Regul. Pept
, vol.65
, pp. 165-174
-
-
Larhammar, D.1
-
14
-
-
0342313762
-
Evolution of the neuropeptide Y receptor family: Gene and Chromosome duplications deduced from the cloning and mapping of the five receptor subtype genes in pig
-
Wraith, A.; Tornsten, A.; Chardon, P.; Harbit, I.; Chowdhary, B. P.; Andersson, L.; Lundin, L.G.; Larhammar, D. Evolution of the neuropeptide Y receptor family: Gene and Chromosome duplications deduced from the cloning and mapping of the five receptor subtype genes in pig. Genome Res. 2000, 10, 302-310.
-
(2000)
Genome Res
, vol.10
, pp. 302-310
-
-
Wraith, A.1
Tornsten, A.2
Chardon, P.3
Harbit, I.4
Chowdhary, B.P.5
Andersson, L.6
Lundin, L.G.7
Larhammar, D.8
-
15
-
-
0029867643
-
Evolution of neuropeptide Y, peptide YY, and pancreatic polypeptide
-
Larhammar, D. Evolution of neuropeptide Y, peptide YY, and pancreatic polypeptide. Regul. Pept. 1996, 62, 1-11.
-
(1996)
Regul. Pept.
, vol.62
, pp. 1-11
-
-
Larhammar, D.1
-
16
-
-
0026610078
-
Sequence-specific proton NMR assignments and solution structure of bovine pancreatic polypeptide
-
Li, X.; Sutcliffe, M. J.; Schwartz, T. W.; Dobson, C. M. Sequence-specific proton NMR assignments and solution structure of bovine pancreatic polypeptide. Biochemistry 1992. 31, 1245-1253.
-
(1992)
Biochemistry
, vol.31
, pp. 1245-1253
-
-
Li, X.1
Sutcliffe, M.J.2
Schwartz, T.W.3
Dobson, C.M.4
-
17
-
-
0026686896
-
Solution conformation of human neuropeptide Y by IH nuclear magnetic resonance and restrained molecular dynamics
-
Darhon, H.; Bcrnassuu, J.; Delce, E. C.; Chenu, J.; Rousscl, A.; Cambillau, C. Solution conformation of human neuropeptide Y by IH nuclear magnetic resonance and restrained molecular dynamics. Eur. J. Biochem. 1992, 209, 765-771.
-
(1992)
Eur. J. Biochem
, vol.209
, pp. 765-771
-
-
Darhon, H.1
Bcrnassuu, J.2
Delce, E.C.3
Chenu, J.4
Rousscl, A.5
Cambillau, C.6
-
18
-
-
0033118234
-
Aspccts of the molecular structure and dynamics of neuropeptide Y
-
Nordmann, A.; Blommcrs, M.; Fret, H.; Arvintc, T.; Drake, F. Aspccts of the molecular structure and dynamics of neuropeptide Y. Eur. J. Biochem. 1999. 261, 216-226.
-
(1999)
Eur. J. Biochem
, vol.261
, pp. 216-226
-
-
Nordmann, A.1
Blommcrs, M.2
Fret, H.3
Arvintc, T.4
Drake, F.5
-
19
-
-
0026525318
-
Structure of neuropeptide Y dimer in solution
-
Cowley, D.; Hoflack, J.; Pelton, J.; Saudek, V. Structure of neuropeptide Y dimer in solution. Eur. J. Biochem. 1992. 205, 1099-1106.
-
(1992)
Eur. J. Biochem
, vol.205
, pp. 1099-1106
-
-
Cowley, D.1
Hoflack, J.2
Pelton, J.3
Saudek, V.4
-
20
-
-
0026516313
-
Neuropeptide Y: Optimized solid-phase synthesis and conformational analysis in trifluoroethanol
-
Mierkc, D.; Durr, H.; Kessler, H.; Jung, G. Neuropeptide Y: Optimized solid-phase synthesis and conformational analysis in trifluoroethanol. Eur. J. Biochem. 1992, 206, 39-48.
-
(1992)
Eur. J. Biochem
, vol.206
, pp. 39-48
-
-
Mierkc, D.1
Durr, H.2
Kessler, H.3
Jung, G.4
-
21
-
-
0030339991
-
Solution structure of human neuropeptide Y
-
Monks, S.; Karagianis, G.; Howlett, G.; Norton, G. Solution structure of human neuropeptide Y. J. Biomol. NMR 1996. 8, 379-390.
-
(1996)
J. Biomol. NMR
, vol.8
, pp. 379-390
-
-
Monks, S.1
Karagianis, G.2
Howlett, G.3
Norton, G.4
-
22
-
-
84975452638
-
Structure and dynamics of micelle-bound neuropeptide Y: Comparison with unligated NPY and implications for receptor selection
-
Bader, R;Bettio, A.; Beck Sickinger, A G.; Zerbe, O. Structure and dynamics of micelle-bound neuropeptide Y: Comparison with unligated NPY and implications for receptor selection. Genome Res. 2000. 10, 302-310.
-
(2000)
Genome Res
, vol.10
, pp. 302-310
-
-
Bader, R.1
Bettio, A.2
Beck Sickinger, A.G.3
Zerbe, O.4
-
23
-
-
3042621483
-
Structural similarities of micelle-bound peptide YY (PYY) and neuropeptide Y (NPY) are related to their affinity profiles at the Y receptors
-
Lcrch, M.; Mayrhofer, M.; Zerbe, O. Structural similarities of micelle-bound peptide YY (PYY) and neuropeptide Y (NPY) are related to their affinity profiles at the Y receptors. J. Mol. Biol. 2004. 339, 1153-1168.
-
(2004)
J. Mol. Biol
, vol.339
, pp. 1153-1168
-
-
Lcrch, M.1
Mayrhofer, M.2
Zerbe, O.3
-
24
-
-
0036083943
-
The neuropeptide Y monomer in solution is not folded in the pancreatic-polypeptide fold
-
Bettio, A.; Dinger, M. C.; Beck Sickinger, A. G. The neuropeptide Y monomer in solution is not folded in the pancreatic-polypeptide fold. Protein Sci. 2002, II, 1834- 1844.
-
(2002)
Protein Sci.
, vol.2
, pp. 1834-1844
-
-
Bettio, A.1
Dinger, M.C.2
Beck Sickinger, A.G.3
-
25
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M.; Westbrook, J.; Feng, Z; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. The Protein Data Bank. Nucleic Acids Res 2000. 28, 235-242.
-
(2000)
Nucleic Acids Res
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
26
-
-
0019413468
-
X-ray analysis (1.4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone
-
Blundcll, T. L.; Pitts, J. E.; Tickle, 1. J.; Wood, S. P.; Wu, C.W. X-ray analysis (1.4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone. Proc. Nail. Acad. Sci. U.S.A. 1981, 78, 4175-4179.
-
(1981)
Proc. Nail. Acad. Sci. U.S.A
, vol.78
, pp. 4175-4179
-
-
Blundcll, T.L.1
Pitts, J.E.2
Tickle, J.3
Wood, S.P.4
Wu, C.W.5
-
27
-
-
0037221599
-
Is there a unifying mechanism for protein folding
-
Daggett, V.; Fersht, A. R. Is there a unifying mechanism for protein folding. Trends Biochem. Sci. 2003, 28, 18-25.
-
(2003)
Trends Biochem. Sci.
, vol.28
, pp. 18-25
-
-
Daggett, V.1
Fersht, A.R.2
-
28
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips, J. C.; Braun, R.; Wang, W.; Gumbart, J.; Tajkhorshid, E.; Villa, E.; Chipot, C.; Skcel, R. D.;Kale, L.; Schultcn, K. Scalable molecular dynamics with NAMD. J. Comput. Chem. 2005. 28, 1781-1802.
-
(2005)
J. Comput. Chem
, vol.28
, 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
Skcel, R.D.8
Kale, L.9
Schultcn, K.10
-
29
-
-
84986512474
-
CHARMM: A program for macro-molecular energy, minimization, and dynamics calculations
-
Brooks, B.; Bruccolcri, R.; Olafson, R.; States, D.; Swaminathan, S.; Karplus, M. CHARMM: A program for macro-molecular energy, minimization, and dynamics calculations. J. Comput. Chem. 1983. 4, 187-217.
-
(1983)
J. Comput. Chem
, vol.4
, pp. 187-217
-
-
Brooks, B.1
Bruccolcri, R.2
Olafson, R.3
States, D.4
Swaminathan, S.5
Karplus, M.6
-
30
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phxs. 1983. 79, 926- 935.
-
(1983)
J. Chem. Phxs
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
31
-
-
33846823909
-
Particle mesh Ewaldi: An N log(N) method for Ewald sums in large systems
-
Park, P. J.; Lee, S. Particle mesh Ewaldi: An N log(N) method for Ewald sums in large systems. J. Chem. Phxs. 1993, 98, 10089-10092.
-
(1993)
J. Chem. Phxs
, vol.98
, pp. 10089-10092
-
-
Park, P.J.1
Lee, S.2
-
32
-
-
0001082095
-
Constant-temperature molecular dy namics
-
Nose, S. Constant-temperature molecular dy namics. J. Phxs.: Condens. Matter 1990. 2. SA115-SA119.
-
(1990)
J. Phxs.: Condens. Matter
, vol.2
, pp. 115-119
-
-
Nose, S.1
-
33
-
-
58149163268
-
A vulnerability in popular molecular dynamics packages concerning langevin and andersen dynamics
-
Ccrutti, D. S.; Duke, R.; Frcddolino, P. L.; Fan, H.; Lybrand, T. P. A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics. J. Chem. Theory Comput. 1999, 4, 1669-1680.
-
(1999)
J. Chem. Theory Comput
, vol.4
, pp. 1669-1680
-
-
Ccrutti, D.S.1
Duke, R.2
Frcddolino, P.L.3
Fan, H.4
Lybrand, T.P.5
-
34
-
-
36049017496
-
Simmerling, C. Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir
-
Okur, A.; Roc, D. R.; Cui, G.; Hornak, V.; Simmerling, C. Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir. J. Chem. Theory Comput. 2007. .?. 557-568.
-
(2007)
J. Chem. Theory Comput
, pp. 557-568
-
-
Okur, A.1
Roc, D.R.2
Cui, G.3
Hornak, V.4
-
35
-
-
0036968512
-
Increasing temperature accelerates protein unfolding without changing the pathway of unfolding
-
Day, R.; Daggett, V. Increasing Temperature Accelerates Protein Unfolding Without Changing the Pathway of Unfolding. J. Mol. Biol. 2002. 322, 189-203.
-
(2002)
J. Mol. Biol
, vol.322
, pp. 189-203
-
-
Day, R.1
Daggett, V.2
-
36
-
-
0003166498
-
Protein folding in the landscape perspective: Chevron plots and non-Arrhcnius kinetics
-
Chan, H. S.; Dill, K. A. Protein folding in the landscape perspective: chevron plots and non-Arrhcnius kinetics. Proteins 1998. 30, 2-33.
-
(1998)
Proteins
, vol.30
, pp. 2-33
-
-
Chan, H.S.1
Dill, K.A.2
-
37
-
-
84975527414
-
Thermal unfolding of an intermediate is associated with non-Arrhcnius
-
H
-
Matagnc, A.; Jamin, M.;Chung, E. E.; Robinson, C. V.; Radford, S. E.; Dobson, C. M. Thermal unfolding of an intermediate is associated with non-Arrhcnius.Mol. Biol. 20(H). 297, 193-210.
-
Mol. Biol
, vol.297
, Issue.20
, pp. 193-210
-
-
Matagnc, A.1
Jamin, M.2
Chung, E.E.3
Robinson, C.V.4
Radford, E.S.5
Dobson, M.C.6
-
38
-
-
0141457507
-
The kinetic pathway of folding of barnase
-
Khan, F.; Chuang, J. I.; Gianni, S.; Fersht, A. R. The kinetic pathway of folding of barnase. J. Mol. Biol. 2003, 333, 169- 186.
-
(2003)
J. Mol. Biol.
, vol.333
, pp. 169-186
-
-
Khan, F.1
Chuang, J.I.2
Gianni, S.3
Fersht, A.R.4
-
39
-
-
84975500725
-
Tuning the free energy landscape of a WW domain by temperature, mutation, and truncation
-
Nguyen, H.; Jaeger, M.; Morctto, A.; Gruebcle, M.; Kelly, J. W. Tuning the free energy landscape of a WW domain by temperature, mutation, and truncation. Proc. Natl. Acad. Sci. U.S.A. 2003. 352, 370-381.
-
(2003)
Proc. Natl. Acad. Sci. U.S.A
, vol.352
, pp. 370-381
-
-
Nguyen, H.1
Jaeger, M.2
Morctto, A.3
Gruebcle, M.4
Kelly, J.W.5
-
41
-
-
4244116139
-
Equilibrium free-energy differences from non- equilibrium measurements: A master-equation approach
-
Jarzynski, C. Equilibrium free-energy differences from non- equilibrium measurements: A master-equation approach. Phxs. Rev. E 1997. 56, 5018-5035.
-
Phxs. Rev
, vol.56
, pp. 5018-5035
-
-
Jarzynski, C.1
-
42
-
-
4243754128
-
Nonequilibrium equality for free energy differences
-
Jarzynski, C. Nonequilibrium equality for free energy differences. Phxs. Rev. Lett. 1997. 78, 2690-2693.
-
(1997)
Phxs. Rev. Lett
, vol.78
, pp. 2690-2693
-
-
Jarzynski, C.1
-
43
-
-
4143087050
-
Calculating potentials of mean force from steered molecular dynamics simulations
-
Park, S.; Schulten, K. Calculating potentials of mean force from steered molecular dynamics simulations. J. Chem. Phxs. 2004. 120, 5946-5961. '.
-
(2004)
J. Chem. Phxs
, vol.120
, pp. 5946-5961
-
-
Park, S.1
Schulten, K.2
-
44
-
-
33748269730
-
Free energy calculations with non-equilibrium methods: Applications of the Jarzynksi relationship
-
Xiong, H.; Crespo, A.; Marti, M.; Estrin, D.; Roitberg, A. E. Free energy calculations with non-equilibrium methods: applications of the Jarzynksi relationship. Theor. Chem. Acta 2006. 116, 338-346.
-
(2006)
Theor. Chem. Acta
, vol.116
, pp. 338-346
-
-
Xiong, H.1
Crespo, A.2
Marti, M.3
Estrin, D.4
Roitberg, A.E.5
-
46
-
-
38849122815
-
Biased Molecular Simulations for Free-Energy Mapping: A Comparison on the KcsA Channel as a Test Case
-
Piccinini, E.; Ccccarclli, M.; Affinito, F.; Brunetti, R; Jacoboni, C. Biased Molecular Simulations for Free-Energy Mapping: A Comparison on the KcsA Channel as a Test Case. J. Chem. Theory Comput. 2008. 4. 173-183.
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 173-183
-
-
Piccinini, E.1
Ccccarclli, M.2
Affinito, F.3
Brunetti, R.4
Jacoboni, C.5
-
47
-
-
66749085629
-
Comparison of Three Perturbation Molecular Dynamics Methods for Modeling Conformational Transitions
-
Huang, H.; Ozkirimli, E.; Post, C. B. Comparison of Three Perturbation Molecular Dynamics Methods for Modeling Conformational Transitions. J. Chem. Theorx Comput. 2009. 5, 1304-1314.
-
(2009)
J. Chem. Theorx Comput
, vol.5
, pp. 1304-1314
-
-
Huang, H.1
Ozkirimli, E.2
Post, C.B.3
-
48
-
-
0037036070
-
Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality
-
Liphardt, J.; Dumont, S.; Smith, S. B.; Bustamcntc, C. Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality. Science 2002. 296, 1832-1835.
-
(2002)
Science
, vol.296
, pp. 1832-1835
-
-
Liphardt, J.1
Dumont, S.2
Smith, S.B.3
Bustamcntc, C.4
-
49
-
-
19944370453
-
An experimental test of the Jarzynski equality in a mechanical experiment
-
Douarche, F.; Cilibcrto, S.; Petrosyan, A.; Rabbiosi, L. An experimental test of the Jarzynski equality in a mechanical experiment. Europhys. Lett. 2005. 70, 593-599.
-
(2005)
Europhys. Lett
, vol.70
, pp. 593-599
-
-
Douarche, F.1
Cilibcrto, S.2
Petrosyan, A.3
Rabbiosi, L.4
-
50
-
-
0032023968
-
Nonequilibrium measurements of free energy differences for microscopically reversible Markovian systems
-
Crooks, G. E. Nonequilibrium measurements of free energy differences for microscopically reversible Markovian systems. J. Stat. Phxs. 1998. 90. 1481-1487.
-
(1998)
J. Stat. Phxs
, vol.90
, pp. 1481-1487
-
-
Crooks, G.E.1
-
51
-
-
0035957434
-
Free energy reconstruction from nonequilibrium single-molecule pulling experiments
-
Hummer, G.; Szabo, A. Free energy reconstruction from nonequilibrium single-molecule pulling experiments. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 3658-3661.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A
, vol.98
, pp. 3658-3661
-
-
Hummer, G.1
Szabo, A.2
-
52
-
-
65549103385
-
The work-Hamiltonian connection and the usefulness of the Jarzynski equality for free energy calculations
-
Zimanyi, E. N.; Silbcy, R. J. The work-Hamiltonian connection and the usefulness of the Jarzynski equality for free energy calculations. J. Chem. Phys. 2009, 130, 171102.
-
(2009)
J. Chem. Phys
, vol.130
, pp. 171102
-
-
Zimanyi, E.N.1
Silbcy, R.J.2
-
53
-
-
0042885340
-
Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality
-
Park, S.; Khalili Araghi, F.; Tajkhorshid, E.; Schulten, K. Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality. J. Chem. Phys. 2003, 119, 3559-3566.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 3559-3566
-
-
Park, S.1
Khalili Araghi, F.2
Tajkhorshid, E.3
Schulten, K.4
-
54
-
-
0038610896
-
Developing an energy landscape lor the novel function of a (bcta/alpha)8 barrel: Ammonia conduction through HisF
-
Amaro, R.; Tajkhorshid, E.; Luthcy Schultcn, Z. Developing an energy landscape lor the novel function of a (bcta/alpha)8 barrel: Ammonia conduction through HisF. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 7599-7604.
-
(2003)
Proc. Natl. Acad. Sci. U.S.A
, vol.100
, pp. 7599-7604
-
-
Amaro, R.1
Tajkhorshid, E.2
Luthcy Schultcn, Z.3
-
55
-
-
0033384169
-
Molecular dynamics of NPY Y1 receptor activation
-
Sylte, I.; Andrianjara, C.; Calvet, A.; Pascal, Y.; Dahl, S. Molecular dynamics of NPY Y1 receptor activation. Bioorg. Med. Chem. 1999. 7(12), 2737-2748.
-
(1999)
Bioorg. Med. Chem
, vol.7
, Issue.12
, pp. 2737-2748
-
-
Sylte, I.1
Andrianjara, C.2
Calvet, A.3
Pascal, Y.4
Dahl, S.5
-
56
-
-
33749367332
-
Association of putative concave protein-binding sites with the fluctuation behavior of residues
-
Ertckin, A.; Nussinov, R.; Haliloglu, T. Association of putative concave protein-binding sites with the fluctuation behavior of residues. Protein Sci. 2006. 15, 2265-2277.
-
(2006)
Protein Sci
, vol.15
, pp. 2265-2277
-
-
Ertckin, A.1
Nussinov, R.2
Haliloglu, T.3
-
57
-
-
0347193736
-
Reaction-rate theory: Fifty years after Kramers
-
and references therein
-
Hnggi, P.; Talkner, P.; Borkovec, M. Reaction-rate theory: Fifty years after Kramers. Rev. Mod. Phys. 1990, 62, 251- 341, and references therein.
-
(1990)
Rev. Mod. Phys
, vol.62
, pp. 251-341
-
-
Hnggi, P.1
Talkner, P.2
Borkovec, M.3
-
58
-
-
31144451131
-
Reaction rate theory: What it was, where it is today, and where is it going?
-
Pollak, E.; Talkner, P. Reaction rate theory: What it was, where it is today, and where is it going? Chaos 2005, 15, 026116-111.
-
(2005)
Chaos
, vol.15
, pp. 026116-27111
-
-
Pollak, E.1
Talkner, P.2
-
59
-
-
77953284565
-
Transition state theory in liquids beyond planar dividing surfaces
-
Hernandez, R.; Bartsch, T.; Uzer, T. Transition state theory in liquids beyond planar dividing surfaces. Chem. Phys. 2010, 370, 270-276.
-
(2010)
Chem. Phys
, vol.370
, pp. 270-276
-
-
Hernandez, R.1
Bartsch, T.2
Uzer, T.3
-
60
-
-
0028097051
-
Complete L-alanine scan of neuropeptide Y reveals ligands binding to Yl and Y2 receptors with distinguished conformations
-
Bcck Sickinger, A. G.; Wicland, H. A.; Wittneben, H.; Willim, K.D.; Rudolf, K.; Jung, G. Complete L-alanine scan of neuropeptide Y reveals ligands binding to Yl and Y2 receptors with distinguished conformations. Eur. J. Biochem. 1994, 225 (3), 947-958.
-
(1994)
Eur. J. Biochem
, vol.225
, Issue.3
, pp. 947-958
-
-
Bcck Sickinger, A.G.1
Wicland, H.A.2
Wittneben, H.3
Willim, K.D.4
Rudolf, K.5
Jung, G.6
-
61
-
-
0028089069
-
Conformational and biological studies of neuropeptide Y analogs containing structural alterations
-
Fournier, A.; Gagnon, D.; Quirion, R.; Dumont, Y.; Pheng, L.H.; St Pierre, S. Conformational and biological studies of neuropeptide Y analogs containing structural alterations. Mol. Pharmacol. 1994. 45, 93-101.
-
(1994)
Mol. Pharmacol
, vol.45
, pp. 93-101
-
-
Fournier, A.1
Gagnon, D.2
Quirion, R.3
Dumont, Y.4
Pheng, L.H.5
St Pierre, S.6
-
62
-
-
34250967320
-
Sur unc proprictc dc la loi dc Gauss
-
Marcinkiewicz, J. Sur unc proprictc dc la loi dc Gauss. Math. Z 1939. 44, 612-618.
-
Math
, vol.44
, pp. 612-618
-
-
Marcinkiewicz, J.1
-
63
-
-
22944465793
-
One-dimensional reaction coordinates for diffusive activated rate processes in many dimensions
-
Berczhkovskii, A.; Szabo, A. One-dimensional reaction coordinates for diffusive activated rate processes in many dimensions. J. Chem. Phys. 2005. 122, 014503-014506.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 014503-014506
-
-
Berczhkovskii, A.1
Szabo, A.2
-
64
-
-
17444378255
-
One-dimensional reaction coordinate and the corresponding potential of mean force from commitment probability distribution
-
Rhce, Y. M.; Pande, V. S. One-dimensional reaction coordinate and the corresponding potential of mean force from commitment probability distribution. J. Phys. Chem. B 2005, 109, 6780-6786.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 6780-6786
-
-
Rhce, Y.M.1
Pande, V.S.2
-
65
-
-
1342281633
-
The protein folding speed limit
-
CT100320G
-
Kubelka, J.; Hofrichter, J.; Eaton, W. A. The protein folding speed limit. Curr. Opin. Struct. Biol. 2004, 14, 76-88. CT100320G.
-
(2004)
Curr. Opin. Struct. Biol.
, vol.14
, pp. 76-88
-
-
Kubelka, J.1
Hofrichter, J.2
Eaton, W.A.3
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