-
1
-
-
0020336190
-
Living with water stress: Evolution of osmolyte systems
-
Yancey PH, Clark ME, Hand SC, Bowlus RD, Somero GN (1982) Living with water stress: Evolution of osmolyte systems. Science 217(4566):1214-1222.
-
(1982)
Science
, vol.217
, Issue.4566
, pp. 1214-1222
-
-
Yancey, P.H.1
Clark, M.E.2
Hand, S.C.3
Bowlus, R.D.4
Somero, G.N.5
-
2
-
-
67650040559
-
Linked functions and reciprocal effects in hemoglobin: A second look
-
Wyman J, Jr (1964) Linked functions and reciprocal effects in hemoglobin: A second look. Adv Protein Chem 19:223-286.
-
(1964)
Adv Protein Chem
, vol.19
, pp. 223-286
-
-
Wyman, J.1
-
3
-
-
0014674115
-
Extension of the theory of linked functions to incorporate the effects of protein hydration
-
Tanford C (1969) Extension of the theory of linked functions to incorporate the effects of protein hydration. J Mol Biol 39(3):539-544.
-
(1969)
J Mol Biol
, vol.39
, Issue.3
, pp. 539-544
-
-
Tanford, C.1
-
4
-
-
0037162456
-
Protein-solvent preferential interactions, protein hydration, and the modulation of biochemical reactions by solvent components
-
Timasheff SN (2002) Protein-solvent preferential interactions, protein hydration, and the modulation of biochemical reactions by solvent components. Proc Natl Acad Sci USA 99(15):9721-9726.
-
(2002)
Proc Natl Acad Sci USA
, vol.99
, Issue.15
, pp. 9721-9726
-
-
Timasheff, S.N.1
-
5
-
-
0034635965
-
Osmotic stress, crowding, preferential hydration, and binding: A comparison of perspectives
-
Parsegian VA, Rand RP, Rau DC (2000) Osmotic stress, crowding, preferential hydration, and binding: A comparison of perspectives. Proc Natl Acad Sci USA 97(8):3987-3992.
-
(2000)
Proc Natl Acad Sci USA
, vol.97
, Issue.8
, pp. 3987-3992
-
-
Parsegian, V.A.1
Rand, R.P.2
Rau, D.C.3
-
6
-
-
46449109015
-
Structure and energetics of the hydrogen-bonded backbone in protein folding
-
Bolen DW, Rose GD (2008) Structure and energetics of the hydrogen-bonded backbone in protein folding. Annu Rev Biochem 77:339-362.
-
(2008)
Annu Rev Biochem
, vol.77
, pp. 339-362
-
-
Bolen, D.W.1
Rose, G.D.2
-
7
-
-
0034681955
-
Vapor pressure osmometry studies of osmolyte-protein interactions: Implications for the action of osmoprotectants in vivo and for the interpretation of "osmotic stress" experiments in vitro
-
Courtenay ES, Capp MW, Anderson CF, Record MT, Jr (2000) Vapor pressure osmometry studies of osmolyte-protein interactions: Implications for the action of osmoprotectants in vivo and for the interpretation of "osmotic stress" experiments in vitro. Biochemistry 39(15):4455-4471.
-
(2000)
Biochemistry
, vol.39
, Issue.15
, pp. 4455-4471
-
-
Courtenay, E.S.1
Capp, M.W.2
Anderson, C.F.3
Record, M.T.4
-
8
-
-
33749365298
-
A molecular mechanism for osmolyte-induced protein stability
-
Street TO, Bolen DW, Rose GD (2006) A molecular mechanism for osmolyte-induced protein stability. Proc Natl Acad Sci USA 103(38):13997-14002.
-
(2006)
Proc Natl Acad Sci USA
, vol.103
, Issue.38
, pp. 13997-14002
-
-
Street, T.O.1
Bolen, D.W.2
Rose, G.D.3
-
9
-
-
0030762556
-
A naturally occurring protective system in urea-rich cells: Mechanism of osmolyte protection of proteins against urea denaturation
-
Wang A, Bolen DW (1997) A naturally occurring protective system in urea-rich cells: Mechanism of osmolyte protection of proteins against urea denaturation. Biochemistry 36(30):9101-9108.
-
(1997)
Biochemistry
, vol.36
, Issue.30
, pp. 9101-9108
-
-
Wang, A.1
Bolen, D.W.2
-
11
-
-
0028150954
-
Why do some organisms use a urea-methylamine mixture as osmolyte? Thermodynamic compensation of urea and trimethylamine N-oxide interactions with protein
-
Lin TY, Timasheff SN (1994) Why do some organisms use a urea-methylamine mixture as osmolyte? Thermodynamic compensation of urea and trimethylamine N-oxide interactions with protein. Biochemistry 33(42):12695-12701.
-
(1994)
Biochemistry
, vol.33
, Issue.42
, pp. 12695-12701
-
-
Lin, T.Y.1
Timasheff, S.N.2
-
12
-
-
33750945327
-
A backbone-based theory of protein folding
-
Rose GD, Fleming PJ, Banavar JR, Maritan A (2006) A backbone-based theory of protein folding. Proc Natl Acad Sci USA 103(45):16623-16633.
-
(2006)
Proc Natl Acad Sci USA
, vol.103
, Issue.45
, pp. 16623-16633
-
-
Rose, G.D.1
Fleming, P.J.2
Banavar, J.R.3
Maritan, A.4
-
13
-
-
0028862864
-
The peptide backbone plays a dominant role in protein stabilization by naturally occurring osmolytes
-
Liu Y, Bolen DW (1995) The peptide backbone plays a dominant role in protein stabilization by naturally occurring osmolytes. Biochemistry 34(39):12884-12891.
-
(1995)
Biochemistry
, vol.34
, Issue.39
, pp. 12884-12891
-
-
Liu, Y.1
Bolen, D.W.2
-
14
-
-
80052319202
-
Osmolyte effects on protein stability and solubility: A balancing act between backbone and side-chains
-
Auton M, Rösgen J, Sinev M, Holthauzen LMF, Bolen DW (2011) Osmolyte effects on protein stability and solubility: A balancing act between backbone and side-chains. Biophys Chem 159(1):90-99.
-
(2011)
Biophys Chem
, vol.159
, Issue.1
, pp. 90-99
-
-
Auton, M.1
Rösgen, J.2
Sinev, M.3
Holthauzen, L.M.F.4
Bolen, D.W.5
-
15
-
-
33746882148
-
Metrics that differentiate the origins of osmolyte effects on protein stability: A test of the surface tension proposal
-
Auton M, Ferreon ACM, Bolen DW (2006) Metrics that differentiate the origins of osmolyte effects on protein stability: A test of the surface tension proposal. J Mol Biol 361(5):983-992.
-
(2006)
J Mol Biol
, vol.361
, Issue.5
, pp. 983-992
-
-
Auton, M.1
Ferreon, A.C.M.2
Bolen, D.W.3
-
16
-
-
77649101458
-
Unfolding of hydrophobic polymers in guanidinium chloride solutions
-
Godawat R, Jamadagni SN, Garde S (2010) Unfolding of hydrophobic polymers in guanidinium chloride solutions. J Phys Chem B 114(6):2246-2254.
-
(2010)
J Phys Chem B
, vol.114
, Issue.6
, pp. 2246-2254
-
-
Godawat, R.1
Jamadagni, S.N.2
Garde, S.3
-
17
-
-
84879521356
-
Trimethylamine N-oxide (TMAO) and tertbutyl alcohol (TBA) at hydrophobic interfaces: Insights from molecular dynamics simulations
-
Fiore A, Venkateshwaran V, Garde S (2013) Trimethylamine N-oxide (TMAO) and tertbutyl alcohol (TBA) at hydrophobic interfaces: Insights from molecular dynamics simulations. Langmuir 29(25):8017-8024.
-
(2013)
Langmuir
, vol.29
, Issue.25
, pp. 8017-8024
-
-
Fiore, A.1
Venkateshwaran, V.2
Garde, S.3
-
18
-
-
0036234983
-
Size and temperature dependence of hydrocarbon solubility in concentrated aqueous solutions of urea and guanidine hydrochloride
-
Graziano G (2002) Size and temperature dependence of hydrocarbon solubility in concentrated aqueous solutions of urea and guanidine hydrochloride. Can J Chem 80(4):388-400.
-
(2002)
Can J Chem
, vol.80
, Issue.4
, pp. 388-400
-
-
Graziano, G.1
-
19
-
-
80855139861
-
Entropic stabilization of proteins by TMAO
-
Cho SS, Reddy G, Straub JE, Thirumalai D (2011) Entropic stabilization of proteins by TMAO. J Phys Chem B 115(45):13401-13407.
-
(2011)
J Phys Chem B
, vol.115
, Issue.45
, pp. 13401-13407
-
-
Cho, S.S.1
Reddy, G.2
Straub, J.E.3
Thirumalai, D.4
-
20
-
-
34547534081
-
The influence of urea and trimethylamine-N-oxide on hydrophobic interactions
-
Paul S, Patey GN (2007) The influence of urea and trimethylamine-N-oxide on hydrophobic interactions. J Phys Chem B 111(28):7932-7933.
-
(2007)
J Phys Chem B
, vol.111
, Issue.28
, pp. 7932-7933
-
-
Paul, S.1
Patey, G.N.2
-
21
-
-
63149153986
-
Urea's action on hydrophobic interactions
-
Zangi R, Zhou R, Berne BJ (2009) Urea's action on hydrophobic interactions. J Am Chem Soc 131(4):1535-1541.
-
(2009)
J Am Chem Soc
, vol.131
, Issue.4
, pp. 1535-1541
-
-
Zangi, R.1
Zhou, R.2
Berne, B.J.3
-
22
-
-
23244459863
-
Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: Origin of osmolyte compatibility
-
Athawale MV, Dordick JS, Garde S (2005) Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: Origin of osmolyte compatibility. Biophys J 89(2):858-866.
-
(2005)
Biophys J
, vol.89
, Issue.2
, pp. 858-866
-
-
Athawale, M.V.1
Dordick, J.S.2
Garde, S.3
-
23
-
-
84887153107
-
Effects of the osmolyte TMAO (Trimethylamine-N-oxide) on aqueous hydrophobic contact-pair interactions
-
Macdonald RD, Khajehpour M (2013) Effects of the osmolyte TMAO (Trimethylamine-N-oxide) on aqueous hydrophobic contact-pair interactions. Biophys Chem 184:101-107.
-
(2013)
Biophys Chem
, vol.184
, pp. 101-107
-
-
Macdonald, R.D.1
Khajehpour, M.2
-
24
-
-
84869798960
-
Single polymer studies of hydrophobic hydration
-
Li ITS, Walker GC (2012) Single polymer studies of hydrophobic hydration. Acc Chem Res 45(11):2011-2021.
-
(2012)
Acc Chem Res
, vol.45
, Issue.11
, pp. 2011-2021
-
-
Li, I.T.S.1
Walker, G.C.2
-
25
-
-
47149098205
-
Force spectroscopy of polymers: Studying on intramolecular and intermolecular interactions in single molecular level
-
Zhang X, Liu C, Wang Z (2008) Force spectroscopy of polymers: Studying on intramolecular and intermolecular interactions in single molecular level. Polymer (Guildf) 49(16):3353-3361.
-
(2008)
Polymer (Guildf)
, vol.49
, Issue.16
, pp. 3353-3361
-
-
Zhang, X.1
Liu, C.2
Wang, Z.3
-
26
-
-
0034665438
-
Force spectroscopy of molecular systems-Single molecule spectroscopy of polymers and biomolecules
-
Janshoff A, Neitzert M, Oberdörfer Y, Fuchs H (2000) Force spectroscopy of molecular systems-Single molecule spectroscopy of polymers and biomolecules. Angew Chem Int Ed Engl 39(18):3212-3237.
-
(2000)
Angew Chem Int Ed Engl
, vol.39
, Issue.18
, pp. 3212-3237
-
-
Janshoff, A.1
Neitzert, M.2
Oberdörfer, Y.3
Fuchs, H.4
-
27
-
-
84871581078
-
Single-molecule adhesion of a stimuli-responsive oligo (ethylene glycol) copolymer to gold
-
Nash MA, Gaub HE (2012) Single-molecule adhesion of a stimuli-responsive oligo (ethylene glycol) copolymer to gold. ACS Nano 6(12):10735-10742.
-
(2012)
ACS Nano
, vol.6
, Issue.12
, pp. 10735-10742
-
-
Nash, M.A.1
Gaub, H.E.2
-
28
-
-
42949162627
-
Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface, and intrapeptide forces
-
Horinek D, et al. (2008) Peptide adsorption on a hydrophobic surface results from an interplay of solvation, surface, and intrapeptide forces. Proc Natl Acad Sci USA 105(8):2842-2847.
-
(2008)
Proc Natl Acad Sci USA
, vol.105
, Issue.8
, pp. 2842-2847
-
-
Horinek, D.1
-
29
-
-
84859047273
-
The effect of temperature on single-polypeptide adsorption
-
Kienle S, Liese S, Schwierz N, Netz RR, Hugel T (2012) The effect of temperature on single-polypeptide adsorption. ChemPhysChem 13(4):982-989.
-
(2012)
ChemPhysChem
, vol.13
, Issue.4
, pp. 982-989
-
-
Kienle, S.1
Liese, S.2
Schwierz, N.3
Netz, R.R.4
Hugel, T.5
-
30
-
-
34249940831
-
Signatures of hydrophobic collapse in extended proteins captured with force spectroscopy
-
Walther KA, et al. (2007) Signatures of hydrophobic collapse in extended proteins captured with force spectroscopy. Proc Natl Acad Sci USA 104(19):7916-7921.
-
(2007)
Proc Natl Acad Sci USA
, vol.104
, Issue.19
, pp. 7916-7921
-
-
Walther, K.A.1
-
31
-
-
84865514087
-
Single molecule force spectroscopy reveals critical roles of hydrophobic core packing in determining the mechanical stability of protein GB1
-
Bu T, Wang HCE, Li H (2012) Single molecule force spectroscopy reveals critical roles of hydrophobic core packing in determining the mechanical stability of protein GB1. Langmuir 28(33):12319-12325.
-
(2012)
Langmuir
, vol.28
, Issue.33
, pp. 12319-12325
-
-
Bu, T.1
Wang, H.C.E.2
Li, H.3
-
32
-
-
36348998132
-
How do chemical denaturants affect the mechanical folding and unfolding of proteins?
-
Cao Y, Li H (2008) How do chemical denaturants affect the mechanical folding and unfolding of proteins? J Mol Biol 375(1):316-324.
-
(2008)
J Mol Biol
, vol.375
, Issue.1
, pp. 316-324
-
-
Cao, Y.1
Li, H.2
-
33
-
-
0034250769
-
Atomic force microscopic study of stretching a single polymer chain in a polymer brush
-
Yamamoto S, Tsujii Y, Fukuda T (2000) Atomic force microscopic study of stretching a single polymer chain in a polymer brush. Macromolecules 33(16):5995-5998.
-
(2000)
Macromolecules
, vol.33
, Issue.16
, pp. 5995-5998
-
-
Yamamoto, S.1
Tsujii, Y.2
Fukuda, T.3
-
34
-
-
34548172927
-
Force-induced globule-coil transition in single polystyrene chains in water
-
Gunari N, Balazs AC, Walker GC (2007) Force-induced globule-coil transition in single polystyrene chains in water. J Am Chem Soc 129(33):10046-10047.
-
(2007)
J Am Chem Soc
, vol.129
, Issue.33
, pp. 10046-10047
-
-
Gunari, N.1
Balazs, A.C.2
Walker, G.C.3
-
35
-
-
77952076441
-
Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions
-
Li ITS, Walker GC (2010) Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions. J Am Chem Soc 132(18):6530-6540.
-
(2010)
J Am Chem Soc
, vol.132
, Issue.18
, pp. 6530-6540
-
-
Li, I.T.S.1
Walker, G.C.2
-
36
-
-
80053634226
-
Signature of hydrophobic hydration in a single polymer
-
Li ITS, Walker GC (2011) Signature of hydrophobic hydration in a single polymer. Proc Natl Acad Sci USA 108(40):16527-16532.
-
(2011)
Proc Natl Acad Sci USA
, vol.108
, Issue.40
, pp. 16527-16532
-
-
Li, I.T.S.1
Walker, G.C.2
-
37
-
-
84880797580
-
When does trimethylamine N-oxide fold a polymer chain and urea unfold it?
-
Mondal J, Stirnemann G, Berne BJ (2013) When does trimethylamine N-oxide fold a polymer chain and urea unfold it? J Phys Chem B 117(29):8723-8732.
-
(2013)
J Phys Chem B
, vol.117
, Issue.29
, pp. 8723-8732
-
-
Mondal, J.1
Stirnemann, G.2
Berne, B.J.3
-
38
-
-
84903757486
-
Direct osmolyte-macromolecule interactions confer entropic stability to folded states
-
Rodríguez-Ropero F, Van Der Vegt NFA (2014) Direct osmolyte-macromolecule interactions confer entropic stability to folded states. J Phys Chem B 118(26):7327-7334.
-
(2014)
J Phys Chem B
, vol.118
, Issue.26
, pp. 7327-7334
-
-
Rodríguez-Ropero, F.1
Van Der Vegt, N.F.A.2
-
39
-
-
84863763684
-
Destruction of hydrogen bonds of poly (N-isopropylacrylamide) aqueous solution by trimethylamine N-oxide
-
Reddy PM, Taha M, Venkatesu P, Kumar A, Lee MJ (2012) Destruction of hydrogen bonds of poly (N-isopropylacrylamide) aqueous solution by trimethylamine N-oxide. J Chem Phys 136(23):234904.
-
(2012)
J Chem Phys
, vol.136
, Issue.23
, pp. 234904
-
-
Reddy, P.M.1
Taha, M.2
Venkatesu, P.3
Kumar, A.4
Lee, M.J.5
-
40
-
-
0026218825
-
Stretching polymer brushes in poor solvents
-
Halperin A, Zhulina E (1991) Stretching polymer brushes in poor solvents. Macromolecules 24(19):5393-5397.
-
(1991)
Macromolecules
, vol.24
, Issue.19
, pp. 5393-5397
-
-
Halperin, A.1
Zhulina, E.2
-
41
-
-
51349115045
-
Dissecting entropic coiling and poor solvent effects in protein collapse
-
Gräter F, Heider P, Zangi R, Berne BJ (2008) Dissecting entropic coiling and poor solvent effects in protein collapse. J Am Chem Soc 130(35):11578-11579.
-
(2008)
J Am Chem Soc
, vol.130
, Issue.35
, pp. 11578-11579
-
-
Gräter, F.1
Heider, P.2
Zangi, R.3
Berne, B.J.4
-
42
-
-
84855833014
-
Conformational dynamics and internal friction in homopolymer globules: Equilibrium vs. Non-equilibrium simulations
-
Einert TR, Sing CE, Alexander-Katz A, Netz RR (2011) Conformational dynamics and internal friction in homopolymer globules: Equilibrium vs. non-equilibrium simulations. Eur Phys J E Soft Matter 34(12):1-16.
-
(2011)
Eur Phys J E Soft Matter
, vol.34
, Issue.12
, pp. 1-16
-
-
Einert, T.R.1
Sing, C.E.2
Alexander-Katz, A.3
Netz, R.R.4
-
43
-
-
84876266482
-
Collapse of a hydrophobic polymer in a mixture of denaturants
-
Das P, Xia Z, Zhou R (2013) Collapse of a hydrophobic polymer in a mixture of denaturants. Langmuir 29(15):4877-4882.
-
(2013)
Langmuir
, vol.29
, Issue.15
, pp. 4877-4882
-
-
Das, P.1
Xia, Z.2
Zhou, R.3
-
44
-
-
0020633006
-
Dispersion and polar force components of surface tension of some polymer films
-
Saito M, Yabe A (1983) Dispersion and polar force components of surface tension of some polymer films. Text Res J 53(1):54-59.
-
(1983)
Text Res J
, vol.53
, Issue.1
, pp. 54-59
-
-
Saito, M.1
Yabe, A.2
-
46
-
-
84879392285
-
Expulsion of ions from hydrophobic hydration shells
-
Rankin BM, Ben-Amotz D (2013) Expulsion of ions from hydrophobic hydration shells. J Am Chem Soc 135(24):8818-8821.
-
(2013)
J Am Chem Soc
, vol.135
, Issue.24
, pp. 8818-8821
-
-
Rankin, B.M.1
Ben-Amotz, D.2
-
47
-
-
36449007442
-
Calibration of atomic force microscope tips
-
Hutter JL, Bechhoefer J (1993) Calibration of atomic force microscope tips. Rev Sci Instrum 64(7):1868-1873.
-
(1993)
Rev Sci Instrum
, vol.64
, Issue.7
, pp. 1868-1873
-
-
Hutter, J.L.1
Bechhoefer, J.2
-
48
-
-
34249830163
-
Hofmeister salt effects on surface tension arise from partitioning of anions and cations between bulk water and the air-water interface
-
Pegram LM, Record MT, Jr (2007) Hofmeister salt effects on surface tension arise from partitioning of anions and cations between bulk water and the air-water interface. J Phys Chem B 111(19):5411-5417.
-
(2007)
J Phys Chem B
, vol.111
, Issue.19
, pp. 5411-5417
-
-
Pegram, L.M.1
Record, M.T.2
-
49
-
-
84865723813
-
2 dihedral angles
-
2 dihedral angles. J Chem Theory Comput 8(9):3257-3273.
-
(2012)
J Chem Theory Comput
, vol.8
, Issue.9
, pp. 3257-3273
-
-
Best, R.B.1
-
50
-
-
84859754499
-
Atomistic simulations of dilute polyelectrolyte solutions
-
Park S, Zhu X, Yethiraj A (2012) Atomistic simulations of dilute polyelectrolyte solutions. J Phys Chem B 116(14):4319-4327.
-
(2012)
J Phys Chem B
, vol.116
, Issue.14
, pp. 4319-4327
-
-
Park, S.1
Zhu, X.2
Yethiraj, A.3
-
51
-
-
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(2):926-935.
-
(1983)
J Chem Phys
, vol.79
, Issue.2
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
52
-
-
0038717923
-
Binary phases of aliphatic N-oxides and water: Force field development and molecular dynamics simulation
-
Kast KM, Brickman J, Kast SM, Berry RS (2003) Binary phases of aliphatic N-oxides and water: Force field development and molecular dynamics simulation. J Phys Chem A 107(27):5342-5351.
-
(2003)
J Phys Chem A
, vol.107
, Issue.27
, pp. 5342-5351
-
-
Kast, K.M.1
Brickman, J.2
Kast, S.M.3
Berry, R.S.4
-
53
-
-
0029912748
-
Development and testing of the opls all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen WL, Maxwell DS, Tirado-Rives J (1996) Development and testing of the opls all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc 118(45):11225-11236.
-
(1996)
J Am Chem Soc
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
54
-
-
78651349736
-
Coarse-graining polymers with the martini force-field: Polystyrene as a benchmark case
-
Rossi G, Monticelli L, Puisto SR, Vattulainen I, Ala-Nissila T (2011) Coarse-graining polymers with the martini force-field: Polystyrene as a benchmark case. Soft Matter 7(2):698-708.
-
(2011)
Soft Matter
, vol.7
, Issue.2
, pp. 698-708
-
-
Rossi, G.1
Monticelli, L.2
Puisto, S.R.3
Vattulainen, I.4
Ala-Nissila, T.5
-
56
-
-
46249092554
-
Gromacs 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess B, Kutzner C, Van Der Spoel D, Lindahl E (2008) Gromacs 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. J Chem Theory Comput 4(3):435-447.
-
(2008)
J Chem Theory Comput
, vol.4
, Issue.3
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
57
-
-
69349100797
-
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
-
Bonomi M, Branduardi D, Bussi G, Camilloni C, Parrinello M (2009) PLUMED: A portable plugin for free-energy calculations with molecular dynamics. Comput Phys Commun 180(10):1961-1972.
-
(2009)
Comput Phys Commun
, vol.180
, Issue.10
, pp. 1961-1972
-
-
Bonomi, M.1
Branduardi, D.2
Bussi, G.3
Camilloni, C.4
Parrinello, M.5
-
58
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
-
Kumar S, Bouzida D, Swendsen RH, Kollman PA, Rosenberg JM (1992) The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J Comput Chem 13(8):1011-1021.
-
(1992)
J Comput Chem
, vol.13
, Issue.8
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
60
-
-
70349099268
-
Molecular computations of preferential interaction coefficients of proteins
-
Shukla D, Shinde C, Trout BL (2009) Molecular computations of preferential interaction coefficients of proteins. J Phys Chem B 113(37):12546-12554.
-
(2009)
J Phys Chem B
, vol.113
, Issue.37
, pp. 12546-12554
-
-
Shukla, D.1
Shinde, C.2
Trout, B.L.3
-
61
-
-
84868097108
-
Molecular mechanism for the preferential exclusion of TMAO from protein surfaces
-
Canchi DR, Jayasimha P, Rau DC, Makhatadze GI, Garcia AE (2012) Molecular mechanism for the preferential exclusion of TMAO from protein surfaces. J Phys Chem B 116(40):12095-12104.
-
(2012)
J Phys Chem B
, vol.116
, Issue.40
, pp. 12095-12104
-
-
Canchi, D.R.1
Jayasimha, P.2
Rau, D.C.3
Makhatadze, G.I.4
Garcia, A.E.5
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