-
1
-
-
0008863560
-
Some factors in the interpretation of protein denaturation
-
Kauzmann W (1959) Some factors in the interpretation of protein denaturation. Adv Protein Chem 14:1-63.
-
(1959)
Adv Protein Chem
, vol.14
, pp. 1-63
-
-
Kauzmann, W.1
-
2
-
-
0015820466
-
Pressure denaturation of metmyoglobin
-
Zipp A, Kauzmann W (1973) Pressure denaturation of metmyoglobin. Biochemistry 12:4217-4228.
-
(1973)
Biochemistry
, vol.12
, pp. 4217-4228
-
-
Zipp, A.1
Kauzmann, W.2
-
3
-
-
0020017199
-
High-pressure effects on proteins and other biomolecules
-
Heremans K (1982) High-pressure effects on proteins and other biomolecules. Annu Rev Biophys Biol 11:1-21.
-
(1982)
Annu Rev Biophys Biol
, vol.11
, pp. 1-21
-
-
Heremans, K.1
-
4
-
-
0027310845
-
The control of protein stability and association by weak interactions with water: How do solvents affect these processes
-
Timasheff SN (1993) The control of protein stability and association by weak interactions with water: How do solvents affect these processes. Annu Rev Biophys Biomol Struct 22:67-97.
-
(1993)
Annu Rev Biophys Biomol Struct
, vol.22
, pp. 67-97
-
-
Timasheff, S.N.1
-
6
-
-
0023008334
-
Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins
-
Krimm S, Bandekar J (1986) Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins. Adv Protein Chem 38:181-364.
-
(1986)
Adv Protein Chem
, vol.38
, pp. 181-364
-
-
Krimm, S.1
Bandekar, J.2
-
7
-
-
0026320508
-
Protein stability and molecular adaptation to extreme conditions
-
Jaenicke R (1991) Protein stability and molecular adaptation to extreme conditions. Eur J Biochem 202:715-728.
-
(1991)
Eur J Biochem
, vol.202
, pp. 715-728
-
-
Jaenicke, R.1
-
8
-
-
0025125438
-
Cold denaturation of proteins
-
Privalov PL (1990) Cold denaturation of proteins. Crit Rev Biochem Mol Biol 25:281-305.
-
(1990)
Crit Rev Biochem Mol Biol
, vol.25
, pp. 281-305
-
-
Privalov, P.L.1
-
9
-
-
0015236387
-
Reversible pressure-temperature denaturation of chymotrypsinogen
-
Hawley SA (1971) Reversible pressure-temperature denaturation of chymotrypsinogen. Biochemistry 10:2436-2442.
-
(1971)
Biochemistry
, vol.10
, pp. 2436-2442
-
-
Hawley, S.A.1
-
10
-
-
0037133197
-
Temperature- and pressure-induced unfolding and refolding of ubiquitin: A static and kinetic Fourier transform infrared spectroscopy study
-
Herberhold H, Winter R (2002) Temperature- and pressure-induced unfolding and refolding of ubiquitin: A static and kinetic Fourier transform infrared spectroscopy study. Biochemistry 41:2396-2401.
-
(2002)
Biochemistry
, vol.41
, pp. 2396-2401
-
-
Herberhold, H.1
Winter, R.2
-
11
-
-
0033616751
-
Exploring the temperature-pressure phase diagram of staphylococcal nuclease
-
Panick G, et al. (1999) Exploring the temperature-pressure phase diagram of staphylococcal nuclease. Biochemistry 38:4157-4164.
-
(1999)
Biochemistry
, vol.38
, pp. 4157-4164
-
-
Panick, G.1
-
12
-
-
0037171132
-
Pressure-temperature phase diagrams of biomolecules
-
Smeller L (2002) Pressure-temperature phase diagrams of biomolecules. Biochim Biophys Acta 1595:11-29.
-
(2002)
Biochim Biophys Acta
, vol.1595
, pp. 11-29
-
-
Smeller, L.1
-
13
-
-
0037437224
-
On the temperature-pressure free-energy landscape of proteins
-
Ravindra R, Winter R (2003) On the temperature-pressure free-energy landscape of proteins. ChemPhysChem 4:359-365.
-
(2003)
ChemPhysChem
, vol.4
, pp. 359-365
-
-
Ravindra, R.1
Winter, R.2
-
14
-
-
2342552020
-
Pressure perturbation calorimetic studies of the solvation properties and the thermal unfolding of staphylococcal nuclease
-
Ravindra R, Royer C, Winter R (2003) Pressure perturbation calorimetic studies of the solvation properties and the thermal unfolding of staphylococcal nuclease. Phys Chem Chem Phys 6:1952-1961.
-
(2003)
Phys Chem Chem Phys
, vol.6
, pp. 1952-1961
-
-
Ravindra, R.1
Royer, C.2
Winter, R.3
-
15
-
-
44449132615
-
Temperature and pressure dependence of protein stability: The engineered fluorescein-binding lipocalin FluA shows an elliptic phase diagram
-
Wiedersich J, Kohler S, Skerra A, Friedrich J (2008) Temperature and pressure dependence of protein stability: The engineered fluorescein-binding lipocalin FluA shows an elliptic phase diagram. Proc Natl Acad Sci USA 105:5756-5761.
-
(2008)
Proc Natl Acad Sci USA
, vol.105
, pp. 5756-5761
-
-
Wiedersich, J.1
Kohler, S.2
Skerra, A.3
Friedrich, J.4
-
16
-
-
0025370815
-
Dominant forces in protein folding
-
Dill KA (1990) Dominant forces in protein folding. Biochemistry 29:7133-7155.
-
(1990)
Biochemistry
, vol.29
, pp. 7133-7155
-
-
Dill, K.A.1
-
17
-
-
26944481188
-
Interfaces and the driving force of hydrophobic assembly
-
Chandler D (2005) Interfaces and the driving force of hydrophobic assembly. Nature 437:640-647.
-
(2005)
Nature
, vol.437
, pp. 640-647
-
-
Chandler, D.1
-
18
-
-
33846512404
-
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water
-
Athawale MV, Goel G, Ghosh T, Truskett TM, Garde S (2007) Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water. Proc Natl Acad Sci USA 104:733-738.
-
(2007)
Proc Natl Acad Sci USA
, vol.104
, pp. 733-738
-
-
Athawale, M.V.1
Goel, G.2
Ghosh, T.3
Truskett, T.M.4
Garde, S.5
-
20
-
-
0035478292
-
Pressure provides new insights into protein folding, dynamics and structure
-
Silva JL, Foguel D, Royer CA (2001) Pressure provides new insights into protein folding, dynamics and structure. Trends Biochem Sci 26:612-618.
-
(2001)
Trends Biochem Sci
, vol.26
, pp. 612-618
-
-
Silva, J.L.1
Foguel, D.2
Royer, C.A.3
-
21
-
-
0000580978
-
Proteins and pressure
-
Frauenfelder H, et al. (1990) Proteins and pressure. J Phys Chem 94:1024-1037.
-
(1990)
J Phys Chem
, vol.94
, pp. 1024-1037
-
-
Frauenfelder, H.1
-
22
-
-
0141654001
-
Highly fluctuating protein structures revealed by variable pressure nuclear magnetic resonance
-
Akasaka K (2003) Highly fluctuating protein structures revealed by variable pressure nuclear magnetic resonance. Biochemistry 42:10875-10885.
-
(2003)
Biochemistry
, vol.42
, pp. 10875-10885
-
-
Akasaka, K.1
-
23
-
-
0037452877
-
Close identity of a pressure stabilized intermediate with a kinetic intermediate in protein folding
-
Kitahara R, Akasaka K (2003) Close identity of a pressure stabilized intermediate with a kinetic intermediate in protein folding. Proc Acad Natl Sci USA 100:3167-3172.
-
(2003)
Proc Acad Natl Sci USA
, vol.100
, pp. 3167-3172
-
-
Kitahara, R.1
Akasaka, K.2
-
24
-
-
0035856546
-
Two folded conformers of Ubiquitin revealed by high-pressure NMR
-
Kitahara R, Yamura H, Akasaka K (2001) Two folded conformers of Ubiquitin revealed by high-pressure NMR. Biochemistry 40:13556-13563.
-
(2001)
Biochemistry
, vol.40
, pp. 13556-13563
-
-
Kitahara, R.1
Yamura, H.2
Akasaka, K.3
-
25
-
-
0032539604
-
The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins
-
Hummer G, Garde S, García AE, Paulaitis ME, Pratt LR (1998) The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins. Proc Natl Acad Sci USA 95:1552-1555.
-
(1998)
Proc Natl Acad Sci USA
, vol.95
, pp. 1552-1555
-
-
Hummer, G.1
Garde, S.2
García, A.E.3
Paulaitis, M.E.4
Pratt, L.R.5
-
26
-
-
0035823844
-
Molecular dynamics simulations of pressure effects on hydrophobic interactions
-
Ghosh T, García AE, Garde S (2001) Molecular dynamics simulations of pressure effects on hydrophobic interactions. J Am Chem Soc 123:10997-11003.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 10997-11003
-
-
Ghosh, T.1
García, A.E.2
Garde, S.3
-
27
-
-
0037040051
-
Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions
-
Ghosh T, García AE, Garde S (2002) Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions. J Chem Phys 116:2480-2486.
-
(2002)
J Chem Phys
, vol.116
, pp. 2480-2486
-
-
Ghosh, T.1
García, A.E.2
Garde, S.3
-
30
-
-
0037032225
-
Smaller and faster: The 20-residue trp-cage folds within 4 μs
-
Qiu L, Pabic SA, Roitberg AE, Hagen SJ (2002) Smaller and faster: The 20-residue trp-cage folds within 4 μs. J Am Chem Soc 124:12952-12953.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 12952-12953
-
-
Qiu, L.1
Pabic, S.A.2
Roitberg, A.E.3
Hagen, S.J.4
-
31
-
-
33947209951
-
Unfolding thermodynamics of trp-cage, a 20 residue miniprotein, studied by differential scanning calorimetry and circular dichroism spectroscopy
-
Streicher WW, Makhatadze GI (2007) Unfolding thermodynamics of trp-cage, a 20 residue miniprotein, studied by differential scanning calorimetry and circular dichroism spectroscopy. Biochemistry 46:2876-2880.
-
(2007)
Biochemistry
, vol.46
, pp. 2876-2880
-
-
Streicher, W.W.1
Makhatadze, G.I.2
-
32
-
-
28044460071
-
A microscopic view of miniprotein folding: Enhanced folding efficiency through formation of an intermediate
-
Neuweiler H, Doose S, Sauer M (2005) A microscopic view of miniprotein folding: Enhanced folding efficiency through formation of an intermediate. Proc Natl Acad Sci USA 102:16650-16655.
-
(2005)
Proc Natl Acad Sci USA
, vol.102
, pp. 16650-16655
-
-
Neuweiler, H.1
Doose, S.2
Sauer, M.3
-
33
-
-
23744503388
-
Uv-resonance raman thermal unfolding study of trp-cage shows that it is not a simple two-state miniprotein
-
Ahmed Z, Beta IA, Mikhonin AV, Asher SA (2005) Uv-resonance raman thermal unfolding study of trp-cage shows that it is not a simple two-state miniprotein. J Am Chem Soc 127:10943-10950.
-
(2005)
J Am Chem Soc
, vol.127
, pp. 10943-10950
-
-
Ahmed, Z.1
Beta, I.A.2
Mikhonin, A.V.3
Asher, S.A.4
-
34
-
-
0037174385
-
All-atom structure prediction and folding simulations of a stable protein
-
Simmerling C, Stockbine B, Roitberg A (2002) All-atom structure prediction and folding simulations of a stable protein. J Am Chem Soc 122:11258-11259.
-
(2002)
J Am Chem Soc
, vol.122
, pp. 11258-11259
-
-
Simmerling, C.1
Stockbine, B.2
Roitberg, A.3
-
35
-
-
0037065310
-
The Trp-cage: Folding kinetics and unfolded state topology via molecular dynamics simulations
-
Snow CD, Zagrovich B, Pande VS (2002) The Trp-cage: Folding kinetics and unfolded state topology via molecular dynamics simulations. J Am Chem Soc 124:14548-14549.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 14548-14549
-
-
Snow, C.D.1
Zagrovich, B.2
Pande, V.S.3
-
36
-
-
0037934616
-
Understanding folding and design: Replica exchange simulations of the "Trp-cage" mini-protein
-
Pitera JW, Swope W (2003) Understanding folding and design: Replica exchange simulations of the "Trp-cage" mini-protein. Proc Natl Acad Sci USA 100:7587-7592.
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 7587-7592
-
-
Pitera, J.W.1
Swope, W.2
-
37
-
-
0037470691
-
Ab initio folding simulations of the trp-cage miniprotein approaches nmr resolution
-
Chowdhury S, Lee MC, Xiong G, Duan Y (2003) Ab initio folding simulations of the trp-cage miniprotein approaches nmr resolution. J Mol Biol 327:711-717.
-
(2003)
J Mol Biol
, vol.327
, pp. 711-717
-
-
Chowdhury, S.1
Lee, M.C.2
Xiong, G.3
Duan, Y.4
-
38
-
-
4544223597
-
Characterizing the rate-limiting step of trp-cage folding by all-atom molecular dynamics simulations
-
Chowdhury S, Lee MC, Duan Y (2004) Characterizing the rate-limiting step of trp-cage folding by all-atom molecular dynamics simulations. J Phys Chem B 108:13855-13865.
-
(2004)
J Phys Chem B
, vol.108
, pp. 13855-13865
-
-
Chowdhury, S.1
Lee, M.C.2
Duan, Y.3
-
39
-
-
0642285282
-
Reproducible protein folding with the stochastic tunneling method
-
Schug A, Herges T, Wenzel W (2003) Reproducible protein folding with the stochastic tunneling method. Phys Rev Lett 91:158102.
-
(2003)
Phys Rev Lett
, vol.91
, pp. 158102
-
-
Schug, A.1
Herges, T.2
Wenzel, W.3
-
40
-
-
29144432368
-
Comparison of stochastic optimization methods for all-atom folding of the trp-cage protein
-
Schug A, Herges T, Verma A, Lee KH, Wenzel W (2005) Comparison of stochastic optimization methods for all-atom folding of the trp-cage protein. ChemPhysChem 6:2640-2646.
-
(2005)
ChemPhysChem
, vol.6
, pp. 2640-2646
-
-
Schug, A.1
Herges, T.2
Verma, A.3
Lee, K.H.4
Wenzel, W.5
-
41
-
-
0344824394
-
Trp-cage: Folding free energy in explicit water
-
Zhou R (2003) Trp-cage: Folding free energy in explicit water. Proc Natl Acad Sci USA 100:13280-13285.
-
(2003)
Proc Natl Acad Sci USA
, vol.100
, pp. 13280-13285
-
-
Zhou, R.1
-
42
-
-
11144226928
-
Phylogeny of protein-folding trajectories reveals a unique pathway to native structure
-
Ota M, Ikeguchi M, Kidera A (2004) Phylogeny of protein-folding trajectories reveals a unique pathway to native structure. Proc Natl Acad Sci USA 101:17658-17663.
-
(2004)
Proc Natl Acad Sci USA
, vol.101
, pp. 17658-17663
-
-
Ota, M.1
Ikeguchi, M.2
Kidera, A.3
-
43
-
-
33750468665
-
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent
-
Juraszek J, Bolhuis PG (2006) Sampling the multiple folding mechanisms of Trp-cage in explicit solvent. Proc Natl Acad Sci USA 103:15859-15864.
-
(2006)
Proc Natl Acad Sci USA
, vol.103
, pp. 15859-15864
-
-
Juraszek, J.1
Bolhuis, P.G.2
-
44
-
-
33847254549
-
Replica exchange simulation of reversible folding/unfolding of the trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water
-
Paschek D, Nymeyer H, García AE (2007) Replica exchange simulation of reversible folding/unfolding of the trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water. J Struct Biol 157:524-533.
-
(2007)
J Struct Biol
, vol.157
, pp. 524-533
-
-
Paschek, D.1
Nymeyer, H.2
García, A.E.3
-
45
-
-
37649031797
-
Reversible temperature and pressure denaturation of a protein fragment: A replica exchange molecular dynamics simulation study
-
Paschek D, García AE (2004) Reversible temperature and pressure denaturation of a protein fragment: A replica exchange molecular dynamics simulation study. Phys Rev Lett 93:238105.
-
(2004)
Phys Rev Lett
, vol.93
, pp. 238105
-
-
Paschek, D.1
García, A.E.2
-
46
-
-
18744415073
-
Simulations of the pressure and temperature unfolding of an alpha-helical peptide
-
Paschek D, Gnanakaran S, García AE (2005) Simulations of the pressure and temperature unfolding of an alpha-helical peptide. Proc Natl Acad Sci USA 102:6765-6770.
-
(2005)
Proc Natl Acad Sci USA
, vol.102
, pp. 6765-6770
-
-
Paschek, D.1
Gnanakaran, S.2
García, A.E.3
-
47
-
-
38349110269
-
Simulation of the pressure and temperature folding/ unfolding equilibrium of a small RNA hairpin
-
García AE, Paschek D (2008) Simulation of the pressure and temperature folding/ unfolding equilibrium of a small RNA hairpin. J Am Chem Soc 130:815-817.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 815-817
-
-
García, A.E.1
Paschek, D.2
-
48
-
-
0031714901
-
Protein structure and dynamics at high pressure
-
Heremans K, Smeller L (1998) Protein structure and dynamics at high pressure. Biochim Biophys Acta 1368:353-370.
-
(1998)
Biochim Biophys Acta
, vol.1368
, pp. 353-370
-
-
Heremans, K.1
Smeller, L.2
-
49
-
-
84943502952
-
Amolecular dynamics method for simulating in the canonical ensemble
-
Nosé S (1984) Amolecular dynamics method for simulating in the canonical ensemble. Mol Phys 52:255-268.
-
(1984)
Mol Phys
, vol.52
, pp. 255-268
-
-
Nosé, S.1
-
50
-
-
0001538909
-
Canonical dynamics: Equilibrium phase space distributions
-
Hoover WG (1985) Canonical dynamics: Equilibrium phase space distributions. Phys Rev A 31:1695-1697.
-
(1985)
Phys Rev A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
51
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
Parrinello M, Rahman A (1981) Polymorphic transitions in single crystals: A new molecular dynamics method. J Appl Phys 52:7182-7180.
-
(1981)
J Appl Phys
, vol.52
, pp. 7182-7180
-
-
Parrinello, M.1
Rahman, A.2
-
52
-
-
84926811618
-
(19893) Constant pressure molecular dynamics for molecular systems
-
Nosé S, Klein ML (19893) Constant pressure molecular dynamics for molecular systems. Mol Phys 50:1055-1076.
-
Mol Phys
, vol.50
, pp. 1055-1076
-
-
Nosé, S.1
Klein, M.L.2
-
53
-
-
33748619519
-
Entropy of hydrophobic hydration: Extension to hydrophobic chains
-
Ashbaugh HS, Paulaitis ME (1996) Entropy of hydrophobic hydration: Extension to hydrophobic chains. J Phys Chem 100:1900-1913.
-
(1996)
J Phys Chem
, vol.100
, pp. 1900-1913
-
-
Ashbaugh, H.S.1
Paulaitis, M.E.2
-
54
-
-
0035980398
-
Effect of solute size and solute-water attractive interactions on hydration water structure around hydrophobic solutes
-
Ashbaugh HS, Paulaitis ME (2001) Effect of solute size and solute-water attractive interactions on hydration water structure around hydrophobic solutes. J Am Chem Soc 123:10721-10728.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 10721-10728
-
-
Ashbaugh, H.S.1
Paulaitis, M.E.2
-
55
-
-
0000293654
-
Structural-analysis of molecular solutions based on quasi-component distribution-functions - Application to [H2CO]aq at 25-degrees-C
-
Mehrotra PK, Beveridge DL (1980) Structural-analysis of molecular solutions based on quasi-component distribution-functions - Application to [H2CO]aq at 25-degrees-C. J Am Chem Soc 102:4287-4294.
-
(1980)
J Am Chem Soc
, vol.102
, pp. 4287-4294
-
-
Mehrotra, P.K.1
Beveridge, D.L.2
-
56
-
-
0024094768
-
Accurate simulation of protein dynamics in solution
-
Levitt M, Sharon R (1988) Accurate simulation of protein dynamics in solution. Proc Natl Acad Sci USA 85:7557-7561.
-
(1988)
Proc Natl Acad Sci USA
, vol.85
, pp. 7557-7561
-
-
Levitt, M.1
Sharon, R.2
-
57
-
-
6444228146
-
Molecular dynamics simulations of staphylococcal nuclease: Properties at the protein surface
-
Smolin N, Winter R (2004) Molecular dynamics simulations of staphylococcal nuclease: Properties at the protein surface. J Phys Chem B 108:15928-15937.
-
(2004)
J Phys Chem B
, vol.108
, pp. 15928-15937
-
-
Smolin, N.1
Winter, R.2
-
59
-
-
84946448223
-
Dipole moment fluctuations formulas in computer simulations of polar systems
-
Neumann M (1983) Dipole moment fluctuations formulas in computer simulations of polar systems. Mol Phys 50:841-858.
-
(1983)
Mol Phys
, vol.50
, pp. 841-858
-
-
Neumann, M.1
-
60
-
-
0001616080
-
Replica exchange molecular dynamics method for protein folding
-
Sugita Y, Okamoto Y (1999) Replica exchange molecular dynamics method for protein folding. Chem Phys Lett 314:141-151.
-
(1999)
Chem Phys Lett
, vol.314
, pp. 141-151
-
-
Sugita, Y.1
Okamoto, Y.2
-
61
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids and organic molecules
-
Cornell WD, et al. (1995) A second generation force field for the simulation of proteins, nucleic acids and organic molecules. J Am Chem Soc 117:5179-5197.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
-
62
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79:926-935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
63
-
-
0031578972
-
Parallel tempering algorithm for conformational studies of biological molecules
-
Hansmann UHE (1997) Parallel tempering algorithm for conformational studies of biological molecules. Chem Phys Lett 281:140-150.
-
(1997)
Chem Phys Lett
, vol.281
, pp. 140-150
-
-
Hansmann, U.H.E.1
-
64
-
-
0033117917
-
New Monte Carlo algorithms for protein folding
-
Hansmann UHE, Okamoto Y (1999) New Monte Carlo algorithms for protein folding. Curr Opin Struct Biol 9:177-183.
-
(1999)
Curr Opin Struct Biol
, vol.9
, pp. 177-183
-
-
Hansmann, U.H.E.1
Okamoto, Y.2
-
66
-
-
84986440341
-
SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models
-
Miyamoto S, Kollman PA (1992) SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models. J Comp Chem 13:952-962.
-
(1992)
J Comp Chem
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
67
-
-
33646940952
-
Numerical integration of the cartesian equations of motions of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert JP, Ciccotti G, Berendsen HJC (1977) Numerical integration of the cartesian equations of motions of a system with constraints: Molecular dynamics of n-alkanes. J Comp Phys 23:327-341.
-
(1977)
J Comp Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
68
-
-
0035789518
-
Gromacs 3.0: A package for molecular simulation and trajectory analysis
-
Lindahl E, Hess B, van der Spoel D (2001) Gromacs 3.0: A package for molecular simulation and trajectory analysis. J Mol Model 7:306-317.
-
(2001)
J Mol Model
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
van der Spoel, D.3
-
69
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann U, et al. (1995) A smooth particle mesh Ewald method. J Chem Phys 103:8577-8593.
-
(1995)
J Chem Phys
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
-
70
-
-
0000577041
-
Large-amplitude nonlinear motions in proteins
-
García AE (1992) Large-amplitude nonlinear motions in proteins. Phys Rev Lett 68:2696-2699.
-
(1992)
Phys Rev Lett
, vol.68
, pp. 2696-2699
-
-
García, A.E.1
-
71
-
-
0345862082
-
Characterization of non-alpha helical conformations in Ala-peptides
-
García AE (2004) Characterization of non-alpha helical conformations in Ala-peptides. Polymer 45:669-676.
-
(2004)
Polymer
, vol.45
, pp. 669-676
-
-
García, A.E.1
-
72
-
-
0020997912
-
Dictionary of protein secondary structure - pattern-recognition of hydrogen-bonded and geometrical features
-
Kabsch W, Sander C (1983), Dictionary of protein secondary structure - pattern-recognition of hydrogen-bonded and geometrical features. Biopolymers 22:2577-2637.
-
(1983)
Biopolymers
, vol.22
, pp. 2577-2637
-
-
Kabsch, W.1
Sander, C.2
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