-
1
-
-
0027530942
-
Environments and Mechanistic Roles of the Tyrosine Residues of -5-3-Ketosteroid Isomerase
-
Li, Y., Kuliopulos, A., Mildvan, A. S., and Talalay, P. (1993) Environments and Mechanistic Roles of the Tyrosine Residues of -5-3-Ketosteroid Isomerase Biochemistry 32, 1816-1824
-
(1993)
Biochemistry
, vol.32
, pp. 1816-1824
-
-
Li, Y.1
Kuliopulos, A.2
Mildvan, A.S.3
Talalay, P.4
-
3
-
-
0037285261
-
Structural clues to the mechanism of ion pumping in bacteriorhodopsin
-
Luecke, H. and Lanyi, J. K. (2003) Structural Clues to the Mechanism of Ion Pumping in Bacteriorhodopsin Adv. Protein Chem. 63, 115-130
-
(2003)
Adv. Protein Chem.
, vol.63
, pp. 115-130
-
-
Luecke, H.1
Lanyi, J.K.2
-
4
-
-
0025368499
-
Electrostatic control of charge separation in bacterial photosynthesis
-
Parson, W. W., Chu, Z. T., and Warshel, A. (1990) Electrostatic control of charge separation in bacterial photosynthesis Biochim. Biophys. Acta 1017, 251-272
-
(1990)
Biochim. Biophys. Acta
, vol.1017
, pp. 251-272
-
-
Parson, W.W.1
Chu, Z.T.2
Warshel, A.3
-
5
-
-
0032478818
-
+ conduction and selectivity
-
+ Conduction and Selectivity Science 280, 69-77
-
(1998)
Science
, vol.280
, pp. 69-77
-
-
Doyle, D.A.1
Cabral, J.M.2
Pfuetzner, R.A.3
Kuo, A.4
Gulbis, J.M.5
Cohen, S.L.6
Chait, B.T.7
MacKinnon, R.8
-
6
-
-
0344825877
-
What Really Prevents Proton Transport through Aquoporin? Charge Self-Energy versus Proton Wire Proposals
-
Burykin, A. and Warshel, A. (2003) What Really Prevents Proton Transport through Aquoporin? Charge Self-Energy versus Proton Wire Proposals Biophys. J. 85, 3696-3706
-
(2003)
Biophys. J.
, vol.85
, pp. 3696-3706
-
-
Burykin, A.1
Warshel, A.2
-
8
-
-
0040321024
-
Experimental measurement of the effective dielectric in the hydrophobic core of a protein
-
García-Moreno E., B., Dwyer, J., Gittis, A., Lattman, E., Spencer, D., and Stites, W. (1997) Experimental measurement of the effective dielectric in the hydrophobic core of a protein Biophys. Chem. 64, 211-224
-
(1997)
Biophys. Chem.
, vol.64
, pp. 211-224
-
-
García-Moreno, E.B.1
Dwyer, J.2
Gittis, A.3
Lattman, E.4
Spencer, D.5
Stites, W.6
-
9
-
-
0025879501
-
In a staphylococcal nuclease mutant the side-chain of a lysine replacing valine 66 is fully buried in the hydrophobic core
-
Stites, W. E., Gittis, A. G., Lattman, E. E., and Shortle, D. (1991) In a staphylococcal nuclease mutant the side-chain of a lysine replacing valine 66 is fully buried in the hydrophobic core J. Mol. Biol. 221, 7-14
-
(1991)
J. Mol. Biol.
, vol.221
, pp. 7-14
-
-
Stites, W.E.1
Gittis, A.G.2
Lattman, E.E.3
Shortle, D.4
-
10
-
-
33947683393
-
High Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal Asp
-
Karp, D. A., Gittis, A. G., Stahley, M. R., Fitch, C. A., Stites, W. E., and García-Moreno E., B. (2007) High Apparent Dielectric Constant Inside a Protein Reflects Structural Reorganization Coupled to the Ionization of an Internal Asp Biophys. J. 92, 2041-2053
-
(2007)
Biophys. J.
, vol.92
, pp. 2041-2053
-
-
Karp, D.A.1
Gittis, A.G.2
Stahley, M.R.3
Fitch, C.A.4
Stites, W.E.5
García-Moreno, E.B.6
-
11
-
-
0033850087
-
High apparent dielectric constants in the interior of a protein reflect water penetration
-
Dwyer, J., Gittis, A., Karp, D., Lattman, E., Spencer, D., Stites, W., and García-Moreno E., B. (2000) High apparent dielectric constants in the interior of a protein reflect water penetration Biophys. J. 79, 1610-1620
-
(2000)
Biophys. J.
, vol.79
, pp. 1610-1620
-
-
Dwyer, J.1
Gittis, A.2
Karp, D.3
Lattman, E.4
Spencer, D.5
Stites, W.6
García-Moreno, E.B.7
-
12
-
-
43149122245
-
Crystallographic study of hydration of an internal cavity in engineered proteins with buried polar or ionizable groups
-
Schlessman, J. L., Abe, C., Gittis, A. G., Karp, D. A., Dolan, M. A., and Garcia-Moreno E., B. (2008) Crystallographic study of hydration of an internal cavity in engineered proteins with buried polar or ionizable groups Biophys. J. 94, 3208-3216
-
(2008)
Biophys. J.
, vol.94
, pp. 3208-3216
-
-
Schlessman, J.L.1
Abe, C.2
Gittis, A.G.3
Karp, D.A.4
Dolan, M.A.5
Garcia-Moreno, E.B.6
-
13
-
-
0035451052
-
What are the dielectric "constants" of proteins and how to validate electrostatic models?
-
Schutz, C. N. and Warshel, A. (2001) What are the dielectric "constants" of proteins and how to validate electrostatic models? Proteins: Struct., Funct., Genet. 44, 400-417
-
(2001)
Proteins: Struct., Funct., Genet.
, vol.44
, pp. 400-417
-
-
Schutz, C.N.1
Warshel, A.2
-
15
-
-
0015504345
-
Dielectric relaxation spectra of water adsorbed on lysozyme
-
Harvey, S. C. and Hoekstra, P. (1972) Dielectric relaxation spectra of water adsorbed on lysozyme J. Phys. Chem. 76, 1987-2994
-
(1972)
J. Phys. Chem.
, vol.76
, pp. 1987-2994
-
-
Harvey, S.C.1
Hoekstra, P.2
-
16
-
-
0022429109
-
Dielectric studies of protein hydration and hydration-induced flexibility
-
Bone, S. and Pethig, R. (1985) Dielectric studies of protein hydration and hydration-induced flexibility J. Mol. Biol. 181, 323-326
-
(1985)
J. Mol. Biol.
, vol.181
, pp. 323-326
-
-
Bone, S.1
Pethig, R.2
-
17
-
-
0020490656
-
Dielectric studies of the binding of water to lysozyme
-
Bone, S. and Pethig, R. (1982) Dielectric studies of the binding of water to lysozyme J. Mol. Biol. 157, 571-575
-
(1982)
J. Mol. Biol.
, vol.157
, pp. 571-575
-
-
Bone, S.1
Pethig, R.2
-
18
-
-
33846076119
-
Modeling electrostatic effects in proteins
-
Warshel, A., Sharma, P. K., Kato, M., and Parson, W. M. (2006) Modeling electrostatic effects in proteins Biochim. Biophys. Acta 1764, 1647-1676
-
(2006)
Biochim. Biophys. Acta
, vol.1764
, pp. 1647-1676
-
-
Warshel, A.1
Sharma, P.K.2
Kato, M.3
Parson, W.M.4
-
19
-
-
67349203635
-
a values of acidic and basic residues buried at the same internal location in a protein are governed by different factors
-
a values of acidic and basic residues buried at the same internal location in a protein are governed by different factors J. Mol. Biol. 389, 34-47
-
(2009)
J. Mol. Biol.
, vol.389
, pp. 34-47
-
-
Harms, M.J.1
Castañeda, C.A.2
Schlessman, J.L.3
Sue, G.R.4
Isom, D.G.5
Cannon, B.R.6
García-Moreno, E.B.7
-
21
-
-
0022994226
-
Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation
-
Shortle, D. and Meeker, A. (1986) Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation Proteins: Struct., Funct., Genet. 1, 81-89
-
(1986)
Proteins: Struct., Funct., Genet.
, vol.1
, pp. 81-89
-
-
Shortle, D.1
Meeker, A.2
-
22
-
-
0028808533
-
Energetic contribution of side chain hydrogen bonding to the stability of staphylococcal nuclease
-
Byrne, M., Manuel, R., Lowe, L., and Stites, W. (1995) Energetic contribution of side chain hydrogen bonding to the stability of staphylococcal nuclease Biochemistry 34, 13949-13960
-
(1995)
Biochemistry
, vol.34
, pp. 13949-13960
-
-
Byrne, M.1
Manuel, R.2
Lowe, L.3
Stites, W.4
-
23
-
-
0024448151
-
Calculation of protein extinction coefficients from amino acid sequences
-
Gill, S. C. and Von Hippel, P. H. (1989) Calculation of protein extinction coefficients from amino acid sequences Anal. Biochem. 182, 319-326
-
(1989)
Anal. Biochem.
, vol.182
, pp. 319-326
-
-
Gill, S.C.1
Von Hippel, P.H.2
-
24
-
-
0034700307
-
PH dependence of stability of staphylococcal nuclease: Evidence of substantial electrostatic interactions in the denatured state
-
Whitten, S. T. and García-Moreno E., B. (2000) pH dependence of stability of staphylococcal nuclease: Evidence of substantial electrostatic interactions in the denatured state Biochemistry 39, 14292-14304
-
(2000)
Biochemistry
, vol.39
, pp. 14292-14304
-
-
Whitten, S.T.1
García-Moreno, E.B.2
-
25
-
-
84889120137
-
Improved methods for building protein models into electron density maps and the location of errors in these models
-
Jones, T. A., Zhou, J.-Y., Cowan, S. W., and Kjeldgaard, M. (1991) Improved methods for building protein models into electron density maps and the location of errors in these models Acta Crystallogr. A47, 110-119
-
(1991)
Acta Crystallogr.
, vol.47
, pp. 110-119
-
-
Jones, T.A.1
Zhou, J.-Y.2
Cowan, S.W.3
Kjeldgaard, M.4
-
26
-
-
3543012707
-
Crystallography & NMR system: A new software suite for macromolecular structure determination
-
Brünger, A., Adams, P., Clore, G., DeLano, W., Gros, P., Grosse-Kunstleve, R., Jiang, J., Kuszewski, J., Nilges, M., Pannu, N., Read, R., Rice, L., Simonson, T., and Warren, G. (1998) Crystallography & NMR system: A new software suite for macromolecular structure determination Acta Crystallogr. D54 (Part 5) 905-921
-
(1998)
Acta Crystallogr.
, vol.54
, Issue.PART 5
, pp. 905-921
-
-
Brünger, A.1
Adams, P.2
Clore, G.3
Delano, W.4
Gros, P.5
Grosse-Kunstleve, R.6
Jiang, J.7
Kuszewski, J.8
Nilges, M.9
Pannu, N.10
Read, R.11
Rice, L.12
Simonson, T.13
Warren, G.14
-
27
-
-
56649102324
-
High tolerance for ionizable residues in the hydrophobic interior of proteins
-
Isom, D. G., Cannon, B. R., Castañeda, C. A., Robinson, A., and Garcia-Moreno E., B. (2008) High tolerance for ionizable residues in the hydrophobic interior of proteins Proc. Natl. Acad. Sci. U.S.A. 105, 17784-17788
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 17784-17788
-
-
Isom, D.G.1
Cannon, B.R.2
Castañeda, C.A.3
Robinson, A.4
Garcia-Moreno, E.B.5
-
28
-
-
23644462394
-
Local stability identification and the role of a key aromatic amino acid residue in staphylococcal nuclease refolding
-
DOI 10.1111/j.1742-4658.2005.04814.x
-
Su, Z., Wu, J., Fang, H., Tsong, T., and Chen, H. (2005) Local stability identification and the role of a key aromatic amino acid residue in staphylococcal nuclease FEBS J. 272, 3960-3966 (Pubitemid 41117227)
-
(2005)
FEBS Journal
, vol.272
, Issue.15
, pp. 3960-3966
-
-
Su, Z.1
Wu, J.-M.2
Fang, H.-J.3
Tsong, T.-Y.4
Chen, H.-M.5
-
29
-
-
11344258621
-
Elucidation of information encoded in tryptophan 140 of staphylococcal nuclease
-
Hirano, S., Kamikubo, H., Yamazaki, Y., and Kataoka, M. (2005) Elucidation of information encoded in tryptophan 140 of staphylococcal nuclease Proteins: Struct., Funct., Bioinf. 58, 271-277
-
(2005)
Proteins: Struct., Funct., Bioinf.
, vol.58
, pp. 271-277
-
-
Hirano, S.1
Kamikubo, H.2
Yamazaki, Y.3
Kataoka, M.4
-
30
-
-
0032558991
-
Monitoring the sizes of denatured ensembles of staphlococcal nuclease proteins: Implications regarding m values, intermediates, and thermodynamics
-
Baskakov, I. V. and Bolen, D. W. (1998) Monitoring the sizes of denatured ensembles of staphlococcal nuclease proteins: Implications regarding m values, intermediates, and thermodynamics Biochemistry 37, 18010-18017
-
(1998)
Biochemistry
, vol.37
, pp. 18010-18017
-
-
Baskakov, I.V.1
Bolen, D.W.2
-
31
-
-
0033974163
-
Conformational substates in different crystal forms of the photoactive yellow protein: Correlation with theoretical and experimental flexibility
-
Van Aalten, D. M. F., Crielaard, W., Hellingwerf, K. J., and Joshua-Tor, L. (2000) Conformational substates in different crystal forms of the photoactive yellow protein: Correlation with theoretical and experimental flexibility Protein Sci. 9, 64-72
-
(2000)
Protein Sci.
, vol.9
, pp. 64-72
-
-
Van Aalten, D.M.F.1
Crielaard, W.2
Hellingwerf, K.J.3
Joshua-Tor, L.4
-
32
-
-
66249136708
-
The origin of the electrostatic perturbation in acetoacetate decarboxylase
-
Ho, M., Menetret, J., Tsuruta, H., and Allen, K. N. (2009) The origin of the electrostatic perturbation in acetoacetate decarboxylase Nature 459, 393-399
-
(2009)
Nature
, vol.459
, pp. 393-399
-
-
Ho, M.1
Menetret, J.2
Tsuruta, H.3
Allen, K.N.4
-
33
-
-
10044267947
-
Stabilization of Internal Charges in a Protein: Water Penetration or Conformational Change?
-
Denisov, V. P., Schlessman, J. L., Garcia-Moreno E., B., and Halle, B. (2004) Stabilization of Internal Charges in a Protein: Water Penetration or Conformational Change? Biophys. J. 87, 3982-3994
-
(2004)
Biophys. J.
, vol.87
, pp. 3982-3994
-
-
Denisov, V.P.1
Schlessman, J.L.2
Garcia-Moreno, E.B.3
Halle, B.4
-
34
-
-
0026345864
-
Structural and thermodynamic consequences of burying a charged residue within the hydrophobic core of T4 lysozyme
-
Dao-pin, S., Anderson, D. E., Baase, W. A., Dahlquist, F. W., and Matthews, B. W. (1991) Structural and thermodynamic consequences of burying a charged residue within the hydrophobic core of T4 lysozyme Biochemistry 30, 11521-11529
-
(1991)
Biochemistry
, vol.30
, pp. 11521-11529
-
-
Dao-Pin, S.1
Anderson, D.E.2
Baase, W.A.3
Dahlquist, F.W.4
Matthews, B.W.5
-
35
-
-
0344736689
-
Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
-
Strajbl, M., Shurki, A., and Warshel, A. (2003) Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase Proc. Natl. Acad. Sci. U.S.A. 100, 14834-14839
-
(2003)
Proc. Natl. Acad. Sci. U.S.A.
, vol.100
, pp. 14834-14839
-
-
Strajbl, M.1
Shurki, A.2
Warshel, A.3
-
36
-
-
33646268674
-
Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
-
Olsson, M. H. M. and Warshel, A. (2006) Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase Proc. Natl. Acad. Sci. U.S.A. 103, 6500-6505
-
(2006)
Proc. Natl. Acad. Sci. U.S.A.
, vol.103
, pp. 6500-6505
-
-
Olsson, M.H.M.1
Warshel, A.2
-
37
-
-
0030974121
-
A local electrostatic change is the cause of the large-scale protein conformation shift in bacteriorhodopsin
-
Brown, L. S., Kamikubo, H., Zimanyi, L., Kataoka, M., Tokunaga, F., Verdegem, P., Lugtenburg, J., and Lanyi, J. K. (1997) A local electrostatic change is the cause of the large-scale protein conformation shift in bacteriorhodopsin Proc. Natl. Acad. Sci. U.S.A. 944, 5040-5044
-
(1997)
Proc. Natl. Acad. Sci. U.S.A.
, vol.944
, pp. 5040-5044
-
-
Brown, L.S.1
Kamikubo, H.2
Zimanyi, L.3
Kataoka, M.4
Tokunaga, F.5
Verdegem, P.6
Lugtenburg, J.7
Lanyi, J.K.8
-
38
-
-
0034663686
-
Crystallographic studies of the conformational changes that drive directional transmembrane ion movement in bacteriorhodopsin
-
Lanyi, J. K. (2000) Crystallographic studies of the conformational changes that drive directional transmembrane ion movement in bacteriorhodopsin Biochim. Biophys. Acta 1459, 339-345
-
(2000)
Biochim. Biophys. Acta
, vol.1459
, pp. 339-345
-
-
Lanyi, J.K.1
-
39
-
-
0041471589
-
Calculation of Proton Transfers in Bacteriorhodopsin bR and M Intermediates
-
Song, Y., Mao, J., and Gunner, M. R. (2003) Calculation of Proton Transfers in Bacteriorhodopsin bR and M Intermediates Biochemistry 42, 9875-9888
-
(2003)
Biochemistry
, vol.42
, pp. 9875-9888
-
-
Song, Y.1
Mao, J.2
Gunner, M.R.3
-
40
-
-
0033581879
-
Structural changes linked to proton translocation by subunit c of the ATPase synthase
-
Rastogi, V. K. and Girvin, M. E. (1999) Structural changes linked to proton translocation by subunit c of the ATPase synthase Nature 402, 263-268
-
(1999)
Nature
, vol.402
, pp. 263-268
-
-
Rastogi, V.K.1
Girvin, M.E.2
-
41
-
-
0035852878
-
Formation of a New Buried Charge Drives a Large-Amplitude Protein Quake in Photoreceptor Activation
-
Xie, A., Kelemen, L., Hendriks, J., White, B. J., Hellingwerf, K. J., and Hoff, W. D. (2001) Formation of a New Buried Charge Drives a Large-Amplitude Protein Quake in Photoreceptor Activation Biochemistry 40, 1510-1517
-
(2001)
Biochemistry
, vol.40
, pp. 1510-1517
-
-
Xie, A.1
Kelemen, L.2
Hendriks, J.3
White, B.J.4
Hellingwerf, K.J.5
Hoff, W.D.6
-
42
-
-
0035877707
-
PAS Domain Receptor Photoactive Yellow Protein Is Converted to a Molten Globule State upon Activation
-
Lee, B., Croonquist, P. A., Sosnick, T. R., and Hoff, W. D. (2001) PAS Domain Receptor Photoactive Yellow Protein Is Converted to a Molten Globule State upon Activation J. Biol. Chem. 276, 20821-20823
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 20821-20823
-
-
Lee, B.1
Croonquist, P.A.2
Sosnick, T.R.3
Hoff, W.D.4
-
43
-
-
0033579823
-
Global Conformational Changes upon Receptor Stimulation in Photoactive Yellow Protein
-
Hoff, W. D., Xie, A., Van Stokkum, I. H. M., Tang, X., Gural, J., Kroon, A. R., and Kellingwerf, K. J. (1999) Global Conformational Changes upon Receptor Stimulation in Photoactive Yellow Protein Biochemistry 38, 1009-1017
-
(1999)
Biochemistry
, vol.38
, pp. 1009-1017
-
-
Hoff, W.D.1
Xie, A.2
Van Stokkum, I.H.M.3
Tang, X.4
Gural, J.5
Kroon, A.R.6
Kellingwerf, K.J.7
-
44
-
-
70349307220
-
a values of Asp and Glu residues in staphylococcal nuclease
-
a values of Asp and Glu residues in staphylococcal nuclease Proteins: Struct., Funct., Bioinf. 77, 570-588
-
(2009)
Proteins: Struct., Funct., Bioinf.
, vol.77
, pp. 570-588
-
-
Castañeda, C.A.1
Fitch, C.A.2
Majumdar, A.3
Khangulov, V.4
Schlessman, J.L.5
Garcia-Moreno, E.B.6
-
45
-
-
0032537485
-
Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain
-
Forsyth, W. R., Gilson, M. K., Antosiewicz, J., Jaren, O. R., and Robertson, A. D. (1998) Theoretical and experimental analysis of ionization equilibria in ovomucoid third domain Biochemistry 37, 8643-8652
-
(1998)
Biochemistry
, vol.37
, pp. 8643-8652
-
-
Forsyth, W.R.1
Gilson, M.K.2
Antosiewicz, J.3
Jaren, O.R.4
Robertson, A.D.5
-
47
-
-
0028305457
-
Prediction of pH-dependent properties of proteins
-
Antosiewicz, J., McCammon, J. A., and Gilson, M. K. (1994) Prediction of pH-dependent properties of proteins J. Mol. Biol. 238, 415-436
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 415-436
-
-
Antosiewicz, J.1
McCammon, J.A.2
Gilson, M.K.3
-
50
-
-
8444247565
-
a shifts in proteins using a combination of molecular mechanical and continuum solvent calculations
-
a shifts in proteins using a combination of molecular mechanical and continuum solvent calculations J. Comput. Chem. 25, 1865-1872
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1865-1872
-
-
Kuhn, B.1
Kollman, P.A.2
Stahl, M.3
-
51
-
-
0031670370
-
a calculations: Conformational averaging versus the average structure
-
a calculations: Conformational averaging versus the average structure Proteins: Struct., Funct., Genet. 33, 145-158
-
(1998)
Proteins: Struct., Funct., Genet.
, vol.33
, pp. 145-158
-
-
Van Vlijmen, H.W.T.1
Schaefer, M.2
Karplus, M.3
-
52
-
-
50249150246
-
a of residue 66 in staphylococcal nuclease. I. Insights from QM/MM simulations with conventional sampling
-
a of residue 66 in staphylococcal nuclease. I. Insights from QM/MM simulations with conventional sampling J. Phys. Chem. B 112, 8387-8397
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 8387-8397
-
-
Ghosh, N.1
Cui, Q.2
-
53
-
-
58149512801
-
Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems
-
Zheng, L., Mengen, C., and Yang, W. (2008) Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems Proc. Natl. Acad. Sci. U.S.A. 105, 20227-20232
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 20227-20232
-
-
Zheng, L.1
Mengen, C.2
Yang, W.3
-
54
-
-
33745685012
-
Using a charging coordinate in studies of ionization induced partial unfolding
-
Kato, M. and Warshel, A. (2006) Using a charging coordinate in studies of ionization induced partial unfolding J. Phys. Chem. B 110, 11566-11579
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 11566-11579
-
-
Kato, M.1
Warshel, A.2
-
55
-
-
23244440384
-
Constant pH molecular dynamics with proton tautomerism
-
Khandogin, J. and Brooks, C. L. (2005) Constant pH molecular dynamics with proton tautomerism Biophys. J. 89, 141-157
-
(2005)
Biophys. J.
, vol.89
, pp. 141-157
-
-
Khandogin, J.1
Brooks, C.L.2
-
56
-
-
33747131772
-
Towards the accurate first-principles prediction of ionization equilibria in proteins
-
Khandogin, J. and Brooks, C. L. I. (2006) Towards the accurate first-principles prediction of ionization equilibria in proteins Biochemistry 45, 9363-9373
-
(2006)
Biochemistry
, vol.45
, pp. 9363-9373
-
-
Khandogin, J.1
Brooks, C.L.I.2
|