-
5
-
-
0037705435
-
In search of the energetic role of peptide hydrogen bonds
-
Baldwin RL (2003) In search of the energetic role of peptide hydrogen bonds. J Biol Chem 278: 17581-17588.
-
(2003)
J Biol Chem
, vol.278
, pp. 17581-17588
-
-
Baldwin, R.L.1
-
6
-
-
4444354635
-
Keeping dry and crossing membranes
-
Fernández A (2004) Keeping dry and crossing membranes. Nature Biotech 22: 1081-1084.
-
(2004)
Nature Biotech
, vol.22
, pp. 1081-1084
-
-
Fernández, A.1
-
7
-
-
0037422589
-
Insufficiently dehydrated hydrogen bonds as determinants for protein interactions
-
Fernández A, Scheraga HA (2003) Insufficiently dehydrated hydrogen bonds as determinants for protein interactions. Proc Nat Acad Sci U S A 100: 113-118.
-
(2003)
Proc Nat Acad Sci U S A
, vol.100
, pp. 113-118
-
-
Fernández, A.1
Scheraga, H.A.2
-
8
-
-
33645863141
-
Backbone-backbone H-bonds make context-dependent contributions to protein folding kinetics and thermodynamics: Lessons from amide-to-ester mutations
-
In: Baldwin RL, Baker D, eds. Peptide solvation and H-bonds
-
Powers ET, Deechongkit S, Kelly JW (2006) Backbone-backbone H-bonds make context-dependent contributions to protein folding kinetics and thermodynamics: Lessons from amide-to-ester mutations. In: Baldwin RL, Baker D, eds. Peptide solvation and H-bonds, Adv Prot Chem 72: 40-79.
-
(2006)
Adv Prot Chem
, vol.72
, pp. 40-79
-
-
Powers, E.T.1
Deechongkit, S.2
Kelly, J.W.3
-
10
-
-
0033531959
-
Discrimination of the native from misfolded protein models with an energy function including implicit solvation
-
Lazaridis T, Karplus M (1998) Discrimination of the native from misfolded protein models with an energy function including implicit solvation. J Mol Biol 288: 477-487.
-
(1998)
J Mol Biol
, vol.288
, pp. 477-487
-
-
Lazaridis, T.1
Karplus, M.2
-
11
-
-
70349331136
-
Enhanced surface hydrophobicity by coupling of surface polarity and topography
-
Giovambattista N, Debenedetti PG, Rossky PJ (2009) Enhanced surface hydrophobicity by coupling of surface polarity and topography. Proc Natl Acad Sci U S A 106: 15181-15185.
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 15181-15185
-
-
Giovambattista, N.1
Debenedetti, P.G.2
Rossky, P.J.3
-
12
-
-
0029790358
-
Packing at the protein-water interface
-
Gerstein M, Chothia C (1996) Packing at the protein-water interface. Proc Natl Acad Sci U S A 93: 10167-10172.
-
(1996)
Proc Natl Acad Sci U S A
, vol.93
, pp. 10167-10172
-
-
Gerstein, M.1
Chothia, C.2
-
13
-
-
0033606250
-
OPLS All-atom model for amines: Resolution of the amine hydration problem
-
Rizzo RC, Jorgensen WL (1999) OPLS All-atom model for amines: Resolution of the amine hydration problem. J Am Chem Soc 121: 4827-4836.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 4827-4836
-
-
Rizzo, R.C.1
Jorgensen, W.L.2
-
14
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
Jorgensen WL, Chandrasekhar J, Madura J, 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.3
Impey, R.W.4
Klein, M.L.5
-
15
-
-
77953808293
-
Structural and dynamical aspects of water in contact with a hydrophobic surface
-
Malaspina DC, Schulz EP, Alarcón LM, Frechero MA, Appignanesi GA (2010) Structural and dynamical aspects of water in contact with a hydrophobic surface. Eur Phys J E 32: 35-42.
-
(2010)
Eur Phys J E
, vol.32
, pp. 35-42
-
-
Malaspina, D.C.1
Schulz, E.P.2
Alarcón, L.M.3
Frechero, M.A.4
Appignanesi, G.A.5
-
16
-
-
0031844416
-
Pairwise calculation of solvent accessible surface areas
-
Street AG, Mayo SL (1998) Pairwise calculation of solvent accessible surface areas. Fold Des 3: 253-258.
-
(1998)
Fold Des
, vol.3
, pp. 253-258
-
-
Street, A.G.1
Mayo, S.L.2
-
18
-
-
34948892911
-
Dehydration propensity of order-disorder intermediate regions in soluble proteins
-
Pietrosemoli N, Crespo A, Fernández A (2007) Dehydration propensity of order-disorder intermediate regions in soluble proteins. J Prot Res 6: 3519-3526.
-
(2007)
J Prot Res
, vol.6
, pp. 3519-3526
-
-
Pietrosemoli, N.1
Crespo, A.2
Fernández, A.3
-
19
-
-
0026505184
-
Evaluation of protein models by atomic solvation preference
-
Holm L, Sander C (1992) Evaluation of protein models by atomic solvation preference. J Mol Biol 225: 93-105.
-
(1992)
J Mol Biol
, vol.225
, pp. 93-105
-
-
Holm, L.1
Sander, C.2
-
20
-
-
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: 302-317.
-
(2001)
J Mol Model
, vol.7
, pp. 302-317
-
-
Lindahl, E.1
Hess, B.2
van der Spoel, D.3
-
21
-
-
33846823909
-
Particle mesh Ewald: An Nlog(N) method for Ewald sums in large systems
-
Darden T, York D, Pedersen L (1993) Particle mesh Ewald: an Nlog(N) method for Ewald sums in large systems. J Chem Phys 98: 10089-10092.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
22
-
-
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
-
23
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJ, Postma JP, van Gunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81: 3684-3690.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.1
Postma, J.P.2
van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
|