-
1
-
-
0036280692
-
Proton Transfer Dynamics on the Surface of the Late M State of Bacteriorhodopsin
-
Nachliel, E., Gutman, M., Tittor, J. and Oesterhelt, D.: Proton Transfer Dynamics on the Surface of the Late M State of Bacteriorhodopsin, Biophys. J. 83 (2002), 416-426.
-
(2002)
Biophys. J.
, vol.83
, pp. 416-426
-
-
Nachliel, E.1
Gutman, M.2
Tittor, J.3
Oesterhelt, D.4
-
2
-
-
0037019460
-
Molecular Dynamics of Water at the Protein-Solvent Interface
-
Bizzarri, A.R. and Cannistraro, S.: Molecular Dynamics of Water at the Protein-Solvent Interface, J. Phys. Chem. B 106 (2002), 6617-6633.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 6617-6633
-
-
Bizzarri, A.R.1
Cannistraro, S.2
-
3
-
-
0036286851
-
Solvation and Hydration of Proteins and Nucleic Acids: A Theoretical View of Simulation and Experiment
-
Makarov, V., Pettitt, B.M. and Feig, M.: Solvation and Hydration of Proteins and Nucleic Acids: A Theoretical View of Simulation and Experiment, Acc. Chem. Res. 35 (2002), 376-384.
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 376-384
-
-
Makarov, V.1
Pettitt, B.M.2
Feig, M.3
-
4
-
-
0032478214
-
Protein Hydration in Solution: Experimental Observation by X-ray and Neutron Scattering
-
Svergun, D.I., Richard, S., Koch, M.H., Sayers, Z., Kuprin, S. and Zaccai, G.: Protein Hydration in Solution: Experimental Observation by X-ray and Neutron Scattering, Proc. Natl. Acad. Sci. U.S.A. 95 (1998), 2267-2272.
-
(1998)
Proc. Natl. Acad. Sci. U.S.A.
, vol.95
, pp. 2267-2272
-
-
Svergun, D.I.1
Richard, S.2
Koch, M.H.3
Sayers, Z.4
Kuprin, S.5
Zaccai, G.6
-
5
-
-
0036836450
-
Protein Hydration Water: Structure and Thermodynamics
-
Smith, J.C., Merzel, F., Verma, C.S. and Fischer, S.: Protein Hydration Water: Structure and Thermodynamics, J. Mol. Liquid 101 (2002), 27-33.
-
(2002)
J. Mol. Liquid
, vol.101
, pp. 27-33
-
-
Smith, J.C.1
Merzel, F.2
Verma, C.S.3
Fischer, S.4
-
6
-
-
0032790344
-
Accessibility and Order of Water Sites in and Around Proteins: A Crystallographic Time-Averaging Study
-
Schiffer, C.A. and van Gunsteren, W.F.: Accessibility and Order of Water Sites in and Around Proteins: A Crystallographic Time-Averaging Study, Proteins 36 (1999), 501-511.
-
(1999)
Proteins
, vol.36
, pp. 501-511
-
-
Schiffer, C.A.1
Van Gunsteren, W.F.2
-
7
-
-
0031762253
-
Cluster Analysis of Consensus Water Sites in Thrombin and Trypsin Shows Conservation between Serine Proteases and Contributions to Ligand Specificity
-
Sanschagrin, P.C. and Kuhn, L.A.: Cluster Analysis of Consensus Water Sites in Thrombin and Trypsin Shows Conservation Between Serine Proteases and Contributions to Ligand Specificity, Protein Sci. 7 (1998), 2054-2064.
-
(1998)
Protein Sci.
, vol.7
, pp. 2054-2064
-
-
Sanschagrin, P.C.1
Kuhn, L.A.2
-
8
-
-
0037058913
-
Slaving: Solvent Fluctuations Dominate Protein Dynamics and Functions
-
Fenimore, P.W., Frauenfelder, H., McMahon, B.H. and Parak, F.G.: Slaving: Solvent Fluctuations Dominate Protein Dynamics and Functions, Proc. Natl. Acad. Sci. U.S.A. 99 (2002), 16047-16051.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 16047-16051
-
-
Fenimore, P.W.1
Frauenfelder, H.2
McMahon, B.H.3
Parak, F.G.4
-
9
-
-
0037110473
-
Hydration Structure of Human Lysozyme Investigated by Molecular Dynamics Simulation and Cryogenic X-Ray Crystal Structure Analyses: On the Correlation between Crystal Water Sites, Solvent Density, and Solvent Dipole
-
Higo, J. and Nakasako, M.: Hydration Structure of Human Lysozyme Investigated by Molecular Dynamics Simulation and Cryogenic X-Ray Crystal Structure Analyses: On the Correlation Between Crystal Water Sites, Solvent Density, and Solvent Dipole, J. Comput. Chem. 23 (2002), 1323-1336.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1323-1336
-
-
Higo, J.1
Nakasako, M.2
-
10
-
-
0032484699
-
Protein-Protein and Protein-Salt Interactions in Aqueous Protein Solutions Containing Concentrated Electrolytes
-
Curtis, R.A., Prausnitz, J.M. and Blanch, H.W.: Protein-Protein and Protein-Salt Interactions in Aqueous Protein Solutions Containing Concentrated Electrolytes, Biotechnol. Bioeng. 57 (1998), 11-21.
-
(1998)
Biotechnol. Bioeng.
, vol.57
, pp. 11-21
-
-
Curtis, R.A.1
Prausnitz, J.M.2
Blanch, H.W.3
-
11
-
-
0019729290
-
Quantum Chemical Studies of Proton Transport Through Biomembranes
-
Scheiner, S.: Quantum Chemical Studies of Proton Transport Through Biomembranes, Ann. N.Y. Acad. Sci. 367 (1981), 493-509.
-
(1981)
Ann. N.Y. Acad. Sci.
, vol.367
, pp. 493-509
-
-
Scheiner, S.1
-
12
-
-
0020019479
-
Kinetic Studies of Proton Transfer in the Microenvironment of a Binding Site
-
Gutman, M., Huppert, D. and Nachliel, E.: Kinetic Studies of Proton Transfer in the Microenvironment of a Binding Site, Eur. J. Biochem. 121 (1982), 637-642.
-
(1982)
Eur. J. Biochem.
, vol.121
, pp. 637-642
-
-
Gutman, M.1
Huppert, D.2
Nachliel, E.3
-
13
-
-
0025134851
-
Pathway of Proton Tranfer in Bacterial Reaction Centers: Replacement of Serinve-L22 by Alanine Inhibits Electron and Proton Transfers Associated with Reduction of Quinone to Dihydroquinone
-
Paddock, M.L., McPherson, P.H., Feher, G. and Okamura, M.Y.: Pathway of Proton Tranfer in Bacterial Reaction Centers: Replacement of Serinve-L22 by Alanine Inhibits Electron and Proton Transfers Associated with Reduction of Quinone to Dihydroquinone, Proc. Natl. Acad. Sci. U.S.A. 87 (1990), 6803-6807.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A.
, vol.87
, pp. 6803-6807
-
-
Paddock, M.L.1
McPherson, P.H.2
Feher, G.3
Okamura, M.Y.4
-
14
-
-
0026612756
-
Electrostatic Calculations of the pKa Values of Ionizable Groups in Bacteriorhodopsin
-
Bashford, D. and Gerwert, K.: Electrostatic Calculations of the pKa Values of Ionizable Groups in Bacteriorhodopsin, J. Mol. Biol. 224 (1992), 473-486.
-
(1992)
J. Mol. Biol.
, vol.224
, pp. 473-486
-
-
Bashford, D.1
Gerwert, K.2
-
15
-
-
0028102402
-
Proton Migration Along the Membrane Surface and Retarded Surface to Bulk Transfer
-
Heberle, J., Riesle, J., Thiedemann, G., Oesterhelt, D. and Dencher, N.A.: Proton Migration Along the Membrane Surface and Retarded Surface to Bulk Transfer, Nature 370 (1994), 379-382.
-
(1994)
Nature
, vol.370
, pp. 379-382
-
-
Heberle, J.1
Riesle, J.2
Thiedemann, G.3
Oesterhelt, D.4
Dencher, N.A.5
-
16
-
-
0028314473
-
Protonation and Free Energy Changes Associated with Formation of QBH2 in Native and Glu-L212→Gln Mutant Reaction Centers from Rhodobacter Sphaeroides
-
McPherson, P.H., Schonfeld, M., Paddock, M.L., Okamura, M.Y. and Feher, G.: Protonation and Free Energy Changes Associated with Formation of QBH2 in Native and Glu-L212→Gln Mutant Reaction Centers from Rhodobacter Sphaeroides, Biochemistry 33 (1994), 1181-1193.
-
(1994)
Biochemistry
, vol.33
, pp. 1181-1193
-
-
McPherson, P.H.1
Schonfeld, M.2
Paddock, M.L.3
Okamura, M.Y.4
Feher, G.5
-
17
-
-
0030566867
-
Kinetic Isotope Effects Reveal an Ice-Like and a Liquid-Phase-type Intramolecular Proton Transfer in Bacteriorhodopsin
-
le Coutre, J. and Gerwert, K.: Kinetic Isotope Effects Reveal an Ice-Like and a Liquid-Phase-type Intramolecular Proton Transfer in Bacteriorhodopsin, FEBS Lett. 398 (1996), 333-336.
-
(1996)
FEBS Lett.
, vol.398
, pp. 333-336
-
-
Le Coutre, J.1
Gerwert, K.2
-
18
-
-
0000308038
-
Time Resolved Dynamics of Proton Transfer in Proteinous Systems
-
Gutman, M. and Nachliel, E.: Time Resolved Dynamics of Proton Transfer in Proteinous Systems, Annu. Rev. Phys. Chem. 48 (1997), 329-356.
-
(1997)
Annu. Rev. Phys. Chem.
, vol.48
, pp. 329-356
-
-
Gutman, M.1
Nachliel, E.2
-
19
-
-
0034700102
-
Identification of the Proton Pathway in Bacterial Reaction Centers: Both Protons Associated with Reduction of QB to QBH2 Share a Common Entry Point
-
Adelroth, P., Paddock, M.L., Sagle, L.B., Feher, G. and Okamura, M.Y.: Identification of the Proton Pathway in Bacterial Reaction Centers: Both Protons Associated with Reduction of QB to QBH2 Share a Common Entry Point, Proc. Natl. Acad. Sci. U.S.A. 97 (2000), 13086-13091.
-
(2000)
Proc. Natl. Acad. Sci. U.S.A.
, vol.97
, pp. 13086-13091
-
-
Adelroth, P.1
Paddock, M.L.2
Sagle, L.B.3
Feher, G.4
Okamura, M.Y.5
-
20
-
-
0034789953
-
Time-Resolved FT-IR Spectroscopic Investigation of the pH-Dependent Proton Transfer Reactions in the E194Q Mutant of Bacteriorhodopsin
-
Zscherp, C., Schlesinger, R. and Heberle, J.: Time-Resolved FT-IR Spectroscopic Investigation of the pH-Dependent Proton Transfer Reactions in the E194Q Mutant of Bacteriorhodopsin, Biochem. Biophys. Res. Commun. 283 (2001), 57-63.
-
(2001)
Biochem. Biophys. Res. Commun.
, vol.283
, pp. 57-63
-
-
Zscherp, C.1
Schlesinger, R.2
Heberle, J.3
-
21
-
-
1942475457
-
Gauging of Local Micro-Environment at Protein Water Interface by Time-Resolved Single-Proton Transfer Reactions
-
Gutman, M., Nachliel, E., Mezer, A. and Noivirt, O.: Gauging of Local Micro-Environment at Protein Water Interface by Time-Resolved Single-Proton Transfer Reactions, Ann. Eur. Acad. Sci. 1 (2003), 75-107.
-
(2003)
Ann. Eur. Acad. Sci.
, vol.1
, pp. 75-107
-
-
Gutman, M.1
Nachliel, E.2
Mezer, A.3
Noivirt, O.4
-
22
-
-
0021763983
-
Kinetic Analysis of Proton Transfer between Reactants Adsorbed to the Same Micelle. The Effect of Proximity on the Rate Constants
-
Nachliel, E. and Gutman, M.: Kinetic Analysis of Proton Transfer Between Reactants Adsorbed to the Same Micelle. The Effect of Proximity on the Rate Constants, Eur. J. Biochem. 143 (1984), 83-88.
-
(1984)
Eur. J. Biochem.
, vol.143
, pp. 83-88
-
-
Nachliel, E.1
Gutman, M.2
-
23
-
-
0023651499
-
Time-Resolved Protonation Dynamics of a Black Lipid Membrane Monitored by Capacitative Currents
-
Gutman, M., Nachliel, E., Bamberg, E. and Christensen, B.: Time-Resolved Protonation Dynamics of a Black Lipid Membrane Monitored by Capacitative Currents, Biochim. Biophys. Acta 905 (1987), 390-398.
-
(1987)
Biochim. Biophys. Acta
, vol.905
, pp. 390-398
-
-
Gutman, M.1
Nachliel, E.2
Bamberg, E.3
Christensen, B.4
-
24
-
-
0035836525
-
Dynamics of the Proton Transfer Reaction on the Cytoplasmic Surface of Bacteriorhodopsin
-
Checover, S., Marantz, Y., Nachliel, E., Gutman, M., Pfeiffer, M., Tittor, J., Oesterhelt, D. and Dencher, N.A.: Dynamics of the Proton Transfer Reaction on the Cytoplasmic Surface of Bacteriorhodopsin, Biochemistry 40 (2001), 4281-4292.
-
(2001)
Biochemistry
, vol.40
, pp. 4281-4292
-
-
Checover, S.1
Marantz, Y.2
Nachliel, E.3
Gutman, M.4
Pfeiffer, M.5
Tittor, J.6
Oesterhelt, D.7
Dencher, N.A.8
-
25
-
-
0001200730
-
Primary Ultrafast Events Preceding the Photoinduced Proton Transfer from Pyranine to Water
-
Tran-Thi, T.H., Gustavsson, T., Prayer, C., Pommeret, S. and Hynes, J.T.: Primary Ultrafast Events Preceding the Photoinduced Proton Transfer from Pyranine to Water, Chem. Phys. Lett. 329 (2000), 421-430.
-
(2000)
Chem. Phys. Lett.
, vol.329
, pp. 421-430
-
-
Tran-Thi, T.H.1
Gustavsson, T.2
Prayer, C.3
Pommeret, S.4
Hynes, J.T.5
-
26
-
-
0002087362
-
Kinetics of Proton Transfer Reaction Involving Hydroxypyrene-Trisulfonate in Aqueous Solution by Nanosecond Laser Absorption Spectroscopy
-
Forster, T. and Volker, S.: Kinetics of Proton Transfer Reaction Involving Hydroxypyrene-Trisulfonate in Aqueous Solution by Nanosecond Laser Absorption Spectroscopy, Chem. Phys. Lett. 34 (1975), 1-5.
-
(1975)
Chem. Phys. Lett.
, vol.34
, pp. 1-5
-
-
Forster, T.1
Volker, S.2
-
27
-
-
0000895102
-
Excited State Proton Transfer
-
Weller, A.: Excited State Proton Transfer, Prog. React. Kinet. 1 (1961), 198-214.
-
(1961)
Prog. React. Kinet.
, vol.1
, pp. 198-214
-
-
Weller, A.1
-
28
-
-
0018330692
-
Rapid pH and deltamuH+ Jump by Short Laser Pulse
-
Gutman, M. and Huppert, D.: Rapid pH and deltamuH+ Jump by Short Laser Pulse, J. Biochem. Biophys. Methods 1 (1979), 9-19.
-
(1979)
J. Biochem. Biophys. Methods
, vol.1
, pp. 9-19
-
-
Gutman, M.1
Huppert, D.2
-
29
-
-
0030665489
-
Mechanism of Proton Entry into the Cytoplasmic Section of the Proton-Conducting Channel of Bacteriorhodopsin
-
Checover, S., Nachliel, E., Dencher, N.A. and Gutman, M.: Mechanism of Proton Entry into the Cytoplasmic Section of the Proton-Conducting Channel of Bacteriorhodopsin, Biochemistry 36 (1997), 13919-13928.
-
(1997)
Biochemistry
, vol.36
, pp. 13919-13928
-
-
Checover, S.1
Nachliel, E.2
Dencher, N.A.3
Gutman, M.4
-
30
-
-
0032555160
-
The Proton Collecting Function of the Inner Surface of Cytochrome C Oxidase from Rhodobacter Sphaeroides
-
Marantz, Y., Nachliel, E., Aagaard, A., Brzezinski, P. and Gutman, M.: The Proton Collecting Function of the Inner Surface of Cytochrome C Oxidase from Rhodobacter Sphaeroides, Proc. Natl. Acad. Sci. U.S.A. 95 (1998), 8590-8595.
-
(1998)
Proc. Natl. Acad. Sci. U.S.A.
, vol.95
, pp. 8590-8595
-
-
Marantz, Y.1
Nachliel, E.2
Aagaard, A.3
Brzezinski, P.4
Gutman, M.5
-
31
-
-
0035810447
-
Evidence for a Continuous Transition from Nonadiabatic to Adiabatic Proton Transfer Dynamics in Protic Solvents
-
Cohen, B. and Huppert, D.: Evidence for a Continuous Transition from Nonadiabatic to Adiabatic Proton Transfer Dynamics in Protic Solvents. J. Phys. Chem. A 105 (2001), 2980-2988.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2980-2988
-
-
Cohen, B.1
Huppert, D.2
-
32
-
-
0034615759
-
Structure of the S15,S6,S18-rRNA Complex: Assembly of the 30S Ribosome Central Domain
-
Agalarov, S.C., Prasad, G.S., Funke, P.M., Stout, C.D. and Williamson, J.R.: Structure of the S15,S6,S18-rRNA Complex: Assembly of the 30S Ribosome Central Domain, Science 288 (2000), 107-112.
-
(2000)
Science
, vol.288
, pp. 107-112
-
-
Agalarov, S.C.1
Prasad, G.S.2
Funke, P.M.3
Stout, C.D.4
Williamson, J.R.5
-
33
-
-
0035789518
-
Gromacs 3.0: A Package for Molecular Simulation and Trajectory Analysis
-
Lindahl, E., Hess, B. and van der Spoel, D.: Gromacs 3.0: A Package for Molecular Simulation and Trajectory Analysis, J. Mol. Med. 7 (2001), 306-317.
-
(2001)
J. Mol. Med.
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
35
-
-
0011746241
-
A Molecular Dynamics Study of the Decane/Water Interface
-
van Buuren, A.R., Marrink, S.J. and Berendsen, H.J.C.: A Molecular Dynamics Study of the Decane/Water Interface, J. Phys. Chem. 97 (1993), 9206-9212.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 9206-9212
-
-
Van Buuren, A.R.1
Marrink, S.J.2
Berendsen, H.J.C.3
-
36
-
-
0008025298
-
Convergence Properties of Free Energy Calculations: Alpha-Cyclodextrin Complexes as a Case Study
-
Mark, A.E., van Helden, S.P., Smith, P.E., Janssen, L.H.M. and van Gunsteren, W.F.: Convergence Properties of Free Energy Calculations: Alpha-Cyclodextrin Complexes as a Case Study, J. Am. Chem. Soc. 116 (1994), 6293-6302.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 6293-6302
-
-
Mark, A.E.1
Van Helden, S.P.2
Smith, P.E.3
Janssen, L.H.M.4
Van Gunsteren, W.F.5
-
37
-
-
0027642798
-
Molecular Dynamics Simulations of the Stability of a 22 Residue Alpha-Helix in Water and 30% Trifluoroethanol
-
van Buuren, A.R. and Berendsen, H.J.C.: Molecular Dynamics Simulations of the Stability of a 22 Residue Alpha-Helix in Water and 30% Trifluoroethanol, Biopolymers 33 (1993), 1159-1166.
-
(1993)
Biopolymers
, vol.33
, pp. 1159-1166
-
-
Van Buuren, A.R.1
Berendsen, H.J.C.2
-
38
-
-
0000454818
-
Force Field for Liquid Dimethyl Sulfoxide and Liquid Properties of Liquid Dimethyl Sulfoxide Calculated Using Molecular Dynamics Simulation
-
Liu, H., Muller-Plathe, F. and van Gunsteren, W.F.A.: Force Field for Liquid Dimethyl Sulfoxide and Liquid Properties of Liquid Dimethyl Sulfoxide Calculated Using Molecular Dynamics Simulation, J. Am. Chem. Soc. 117 (1995), 4363-4366.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 4363-4366
-
-
Liu, H.1
Muller-Plathe, F.2
Van Gunsteren, W.F.A.3
-
39
-
-
0028203301
-
Crystal Structure of the Ribosomal Protein S6 from Thermus Thermophilus
-
Lindahl, M., Svensson, L.A., Liljas, A., Sedelnikova, S.E., Eliseikina, I.A., Fomenkova, N.P., Nevskaya, N., Nikonov, S.V., Garber, M.B. and Muranova, T.A.: Crystal Structure of the Ribosomal Protein S6 from Thermus Thermophilus, EMBO J. 13 (1994), 1249-1254.
-
(1994)
EMBO J.
, vol.13
, pp. 1249-1254
-
-
Lindahl, M.1
Svensson, L.A.2
Liljas, A.3
Sedelnikova, S.E.4
Eliseikina, I.A.5
Fomenkova, N.P.6
Nevskaya, N.7
Nikonov, S.V.8
Garber, M.B.9
Muranova, T.A.10
-
40
-
-
0033954256
-
The Protein Data Bank
-
Berman, H.M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T.N., Weissig, H., Shindyalov, I.N. and Bourne, P.E.: The Protein Data Bank, Nucleic Acids Res. 28 (2000), 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
-
41
-
-
15544371572
-
Interaction Models for Water in Relation to Protein Hydration
-
Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F. and Hermans, J.: Interaction Models for Water in Relation to Protein Hydration, Nature 224 (1969), 175-177.
-
(1969)
Nature
, vol.224
, pp. 175-177
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
42
-
-
0030972502
-
Molecular Dynamics Simulations of Leu-Enkephalin in Water and DMSO
-
van der Spoel, D. and Berendsen, H.J.C.: Molecular Dynamics Simulations of Leu-Enkephalin in Water and DMSO, Biophys. J. 72 (1997), 2032-2041.
-
(1997)
Biophys. J.
, vol.72
, pp. 2032-2041
-
-
Van Der Spoel, D.1
Berendsen, H.J.C.2
-
43
-
-
0000112789
-
Molecular Dynamics Simulations of a Fully Hydrated Dipalmitoylphosphatidylcholine Bilayer with Different Macroscopic Boundary Conditions and Parameters
-
Tieleman, D.P. and Berendsen, H.J.C.: Molecular Dynamics Simulations of a Fully Hydrated Dipalmitoylphosphatidylcholine Bilayer with Different Macroscopic Boundary Conditions and Parameters, J. Chem. Phys. 105 (1996), 4871-4880.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 4871-4880
-
-
Tieleman, D.P.1
Berendsen, H.J.C.2
-
44
-
-
0000388705
-
LINCS: A Linear Constraint Solver for Molecular Simulations
-
Hess, B., Bekker, H., Berendsen, H.J.C. and Fraaije, J.G.E.M.: LINCS: A Linear Constraint Solver for Molecular Simulations, J. Comp. Chem. 18 (1997), 1463-1472.
-
(1997)
J. Comp. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
45
-
-
84986440341
-
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid Water Models
-
Miyamoto, S. and Kollman, P.A.: SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid Water Models, J. Comp. Chem. 13 (1992), 952-962.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
46
-
-
33750587438
-
Molecular Dynamics with Coupling to an External Bath
-
Berendsen, H.J.C., Postma, J.P.M., DiNola, A. and Haak, J.R.: Molecular Dynamics with Coupling to an External Bath, J. Chem. Phys. 81 (1984), 3684-3690.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
DiNola, A.3
Haak, J.R.4
-
47
-
-
33846823909
-
Particle Mesh Ewald: An N-log(N) Method for Ewald Sums in Large Systems
-
Darden, T., York, D. and Pedersen, L.: Particle Mesh Ewald: An N-log(N) Method for Ewald Sums in Large Systems, J. Chem. Phys. 98 (1993), 10089-10092.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
48
-
-
0035964342
-
Electrostatics of Nanosystems: Application to Microtubules and the Ribosome
-
Baker, N.A., Sept, D., Joseph, S., Holst, M.J. and McCammon, J.A.: Electrostatics of Nanosystems: Application to Microtubules and the Ribosome, Proc. Natl. Acad. Sci. U.S.A. 98 (2001), 10037-10041.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A.
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
49
-
-
0029878720
-
VMD: Visual Molecular Dynamics
-
Humphrey, W., Dalke, A. and Schulten, K.: VMD: Visual Molecular Dynamics, J. Mol. Gr. 14 (1996), 33-38.
-
(1996)
J. Mol. Gr.
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
50
-
-
0343614206
-
A Systematic Study of Water Models for Molecular Simulation: Derivation of Water Models Optimized for Use with a Reaction Field
-
van der Spoel, D., van Maaren, P.J. and Berendsen, H.J.C.: A Systematic Study of Water Models for Molecular Simulation: Derivation of Water Models Optimized for Use with a Reaction Field, J. Chem. Phys. 108 (1998), 10220-10230.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 10220-10230
-
-
Van Der Spoel, D.1
Van Maaren, P.J.2
Berendsen, H.J.C.3
-
51
-
-
0006313512
-
The Differential Diffusion Coefficients of Lithium and Sodium Chlorides in Dilute Aqueous Solution at 25 degrees
-
Harned, S.H. and Hildreth, C.L.: The Differential Diffusion Coefficients of Lithium and Sodium Chlorides in Dilute Aqueous Solution at 25 degrees. J. Am. Chem. Soc. 73 (1951), 650-652.
-
(1951)
J. Am. Chem. Soc.
, vol.73
, pp. 650-652
-
-
Harned, S.H.1
Hildreth, C.L.2
-
52
-
-
0000124246
-
The Diffusion Coefficients of Eight Uni-Univalent Electrolytes in Aqueous Solution at 25
-
Stokes, R.H.: The Diffusion Coefficients of Eight Uni-Univalent Electrolytes in Aqueous Solution at 25, J. Am. Chem. Soc. 72 (1950), 2243-2247.
-
(1950)
J. Am. Chem. Soc.
, vol.72
, pp. 2243-2247
-
-
Stokes, R.H.1
-
53
-
-
0023792592
-
Anion Binding to Neutral and Positively Charged Lipid Membranes
-
Macdonald, P.M. and Seelig, J.: Anion Binding to Neutral and Positively Charged Lipid Membranes, Biochemistry 27 (1988), 6769-6775.
-
(1988)
Biochemistry
, vol.27
, pp. 6769-6775
-
-
Macdonald, P.M.1
Seelig, J.2
-
54
-
-
0037678992
-
Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl
-
Pandit, S.A., Bostic, D. and Berkowitz, M.L.: Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl, Biophys. J. 84 (2003), 3743-3750.
-
(2003)
Biophys. J.
, vol.84
, pp. 3743-3750
-
-
Pandit, S.A.1
Bostic, D.2
Berkowitz, M.L.3
-
55
-
-
0031008575
-
On the Calculation of Binding Free Energies Using Continuum Methods: Application to MHC Class I Protein-Peptide Interactions
-
Froloff, N., Windemuth, A. and Honig, B.: On the Calculation of Binding Free Energies Using Continuum Methods: Application to MHC Class I Protein-Peptide Interactions, Protein Sci. 6 (1997), 1293-1301.
-
(1997)
Protein Sci.
, vol.6
, pp. 1293-1301
-
-
Froloff, N.1
Windemuth, A.2
Honig, B.3
-
56
-
-
0141885306
-
Continuum Electrostatic Model for the Binding of Cytochrome c2 to the Photosynthesis Reaction Center from Rhodobacter Sphaeroides
-
Miyashita, O., Onuchic, J.N. and Okamura, M.Y.: Continuum Electrostatic Model for the Binding of Cytochrome c2 to the Photosynthesis Reaction Center from Rhodobacter Sphaeroides, Biochemistry 42 (2003), 11651-11660.
-
(2003)
Biochemistry
, vol.42
, pp. 11651-11660
-
-
Miyashita, O.1
Onuchic, J.N.2
Okamura, M.Y.3
-
57
-
-
0035909798
-
Proton-Collecting Properties of Bovine Heart Cytochrome C Oxidase: Kinetic and Electrostatic Analysis
-
Marantz, Y., Einarsdottir, O.O., Nachliel, E. and Gutman, M.: Proton-Collecting Properties of Bovine Heart Cytochrome C Oxidase: Kinetic and Electrostatic Analysis, Biochemistry 40 (2001), 15086-15097.
-
(2001)
Biochemistry
, vol.40
, pp. 15086-15097
-
-
Marantz, Y.1
Einarsdottir, O.O.2
Nachliel, E.3
Gutman, M.4
-
58
-
-
11744384413
-
The Grotthuss Mechanism
-
Agmon, N.: The Grotthuss Mechanism, Chem. Phys. Lett. 244 (1995), 456-462.
-
(1995)
Chem. Phys. Lett.
, vol.244
, pp. 456-462
-
-
Agmon, N.1
|