-
1
-
-
0026770377
-
Integrins: versatility, modulation, and signalling in cell adhesion
-
Hynes R.O. Integrins: versatility, modulation, and signalling in cell adhesion. Cell 69 (1992) 11-25
-
(1992)
Cell
, vol.69
, pp. 11-25
-
-
Hynes, R.O.1
-
2
-
-
0033231935
-
The world according to Arp: regulation of actin nucleation by the Arp2/3 complex
-
Welch M.D. The world according to Arp: regulation of actin nucleation by the Arp2/3 complex. Trends Cell Biol. 9 (1999) 423-427
-
(1999)
Trends Cell Biol.
, vol.9
, pp. 423-427
-
-
Welch, M.D.1
-
4
-
-
0030933277
-
Oncoprotein networks
-
Hunter T. Oncoprotein networks. Cell 88 (1997) 333-346
-
(1997)
Cell
, vol.88
, pp. 333-346
-
-
Hunter, T.1
-
5
-
-
0027397544
-
Inositol trisphosphate and calcium signalling
-
Berridge M. Inositol trisphosphate and calcium signalling. Nature 361 (1993) 124-315
-
(1993)
Nature
, vol.361
, pp. 124-315
-
-
Berridge, M.1
-
6
-
-
0032765083
-
Three-dimensional structure of the human TFIID-IIA-IIB complex
-
Andel F.3., Ladurner A.G., Inouye C., Tjian R., and Nogales E. Three-dimensional structure of the human TFIID-IIA-IIB complex. Science 286 (1999) 2153-2156
-
(1999)
Science
, vol.286
, pp. 2153-2156
-
-
Andel, F.1
Ladurner, A.G.2
Inouye, C.3
Tjian, R.4
Nogales, E.5
-
7
-
-
0031888955
-
A caspase-activated DNAase that degrades DNA during apoptosis, and its inhibitor ICAD
-
Enari M., Sakahira H., Yokoyama H., Okawa K., Iwamatsu A., and Nagata S. A caspase-activated DNAase that degrades DNA during apoptosis, and its inhibitor ICAD. Nature 391 (1998) 43-50
-
(1998)
Nature
, vol.391
, pp. 43-50
-
-
Enari, M.1
Sakahira, H.2
Yokoyama, H.3
Okawa, K.4
Iwamatsu, A.5
Nagata, S.6
-
8
-
-
0024308135
-
Proteolytic processing and physiological regulation
-
Neurath H. Proteolytic processing and physiological regulation. Trends Biochem. Sci. 14 (1989) 268-271
-
(1989)
Trends Biochem. Sci.
, vol.14
, pp. 268-271
-
-
Neurath, H.1
-
9
-
-
0027525106
-
The antigenic identity of peptide-MHC complexes: a comparison of conformations of five viral peptides presented by HLA-A2
-
Madden D.R., Garboczi D.N., and Wiley D.C. The antigenic identity of peptide-MHC complexes: a comparison of conformations of five viral peptides presented by HLA-A2. Cell 75 (1993) 693-708
-
(1993)
Cell
, vol.75
, pp. 693-708
-
-
Madden, D.R.1
Garboczi, D.N.2
Wiley, D.C.3
-
10
-
-
0031059288
-
-
Tech S.-J., Killeen N., Tarakhovsky A., Littman D.R., and Teh H.-S. Blood 89 (1997) 1308-1318
-
(1997)
Blood
, vol.89
, pp. 1308-1318
-
-
Tech, S.-J.1
Killeen, N.2
Tarakhovsky, A.3
Littman, D.R.4
Teh, H.-S.5
-
11
-
-
0025321797
-
-
Koyasu S., Lawton T., Novick D., Recny M.A., Siliciano R.F., Wallner B.P., and Reinherz E.L. Proc. Natl. Acad. Sci. U. S. A. 87 (1990) 2603-2607
-
(1990)
Proc. Natl. Acad. Sci. U. S. A.
, vol.87
, pp. 2603-2607
-
-
Koyasu, S.1
Lawton, T.2
Novick, D.3
Recny, M.A.4
Siliciano, R.F.5
Wallner, B.P.6
Reinherz, E.L.7
-
13
-
-
0024046505
-
An investigation of protein subunit and domain interfaces
-
Argos P. An investigation of protein subunit and domain interfaces. Protein Eng. 2 (1988) 101-113
-
(1988)
Protein Eng.
, vol.2
, pp. 101-113
-
-
Argos, P.1
-
14
-
-
0024246956
-
Surface, subunit interfaces and interior of oligomeric proteins
-
Janin J., Miller S., and Chothia C. Surface, subunit interfaces and interior of oligomeric proteins. J. Mol. Biol. 204 (1988) 155-164
-
(1988)
J. Mol. Biol.
, vol.204
, pp. 155-164
-
-
Janin, J.1
Miller, S.2
Chothia, C.3
-
16
-
-
1842405464
-
Studies of protein-protein interfaces: a statistical analysis of the hydrophobic effect
-
Tsai C.J., Lin S.L., Wolfson H.J., and Nussinov R. Studies of protein-protein interfaces: a statistical analysis of the hydrophobic effect. Protein Sci. 6 (1997) 53-64
-
(1997)
Protein Sci.
, vol.6
, pp. 53-64
-
-
Tsai, C.J.1
Lin, S.L.2
Wolfson, H.J.3
Nussinov, R.4
-
17
-
-
0032522670
-
Morphology of protein-protein interfaces
-
Larsen T.A., Olson A.J., and Goodsell D.S. Morphology of protein-protein interfaces. Structure 6 (1998) 421-427
-
(1998)
Structure
, vol.6
, pp. 421-427
-
-
Larsen, T.A.1
Olson, A.J.2
Goodsell, D.S.3
-
18
-
-
0003187567
-
The atomic structure of protein-protein recognition sites
-
Conte L.L., Chothia C., and Janin J. The atomic structure of protein-protein recognition sites. J. Mol. Biol. 285 (1999) 2177-2198
-
(1999)
J. Mol. Biol.
, vol.285
, pp. 2177-2198
-
-
Conte, L.L.1
Chothia, C.2
Janin, J.3
-
19
-
-
0032510678
-
The role of charged residues mediating low affinity protein-protein recognition at the cell surface by CD2
-
Davis S.J., Davies E.A., Tucknott M.G., Jones E.Y., and van der Merwe P.A. The role of charged residues mediating low affinity protein-protein recognition at the cell surface by CD2. Proc. Natl. Acad. Sci. U. S. A. 95 (1998) 5490-5494
-
(1998)
Proc. Natl. Acad. Sci. U. S. A.
, vol.95
, pp. 5490-5494
-
-
Davis, S.J.1
Davies, E.A.2
Tucknott, M.G.3
Jones, E.Y.4
van der Merwe, P.A.5
-
20
-
-
0031561809
-
Protein binding versus protein folding: the role of hydrophilic bridges in protein associations
-
Xu D., Lin S.L., and Nussinov R. Protein binding versus protein folding: the role of hydrophilic bridges in protein associations. J. Mol. Biol. 265 (1997) 68-84
-
(1997)
J. Mol. Biol.
, vol.265
, pp. 68-84
-
-
Xu, D.1
Lin, S.L.2
Nussinov, R.3
-
21
-
-
0030891436
-
Simulation of the diffusional association of barnase and barstar
-
Gabdoulline R.R., and Wade R.C. Simulation of the diffusional association of barnase and barstar. Biophys. J. 72 (1997) 1917-1929
-
(1997)
Biophys. J.
, vol.72
, pp. 1917-1929
-
-
Gabdoulline, R.R.1
Wade, R.C.2
-
22
-
-
0032557503
-
Electrostatic enhancement of diffusion-controlled protein-protein association: comparison of theory and experiment on barnase and barstar
-
Vijayakumar M., Wong K.Y., Schreiber G., Fersht A.R., Szabo A., and Zhou H.X. Electrostatic enhancement of diffusion-controlled protein-protein association: comparison of theory and experiment on barnase and barstar. J. Mol. Biol. 278 (1998) 1015-1024
-
(1998)
J. Mol. Biol.
, vol.278
, pp. 1015-1024
-
-
Vijayakumar, M.1
Wong, K.Y.2
Schreiber, G.3
Fersht, A.R.4
Szabo, A.5
Zhou, H.X.6
-
23
-
-
0033970625
-
Modeling implicit reorganization in continuum descriptions of protein-protein interactions
-
Olson M.A., and Reinke L.T. Modeling implicit reorganization in continuum descriptions of protein-protein interactions. Proteins 38 (2000) 115-119
-
(2000)
Proteins
, vol.38
, pp. 115-119
-
-
Olson, M.A.1
Reinke, L.T.2
-
24
-
-
0032981961
-
Free energy landscapes of encounter complexes in protein-protein association
-
Camacho C.J., Weng Z., Vajda S., and DeLisi C. Free energy landscapes of encounter complexes in protein-protein association. Biophys. J. 76 (1999) 1166-1178
-
(1999)
Biophys. J.
, vol.76
, pp. 1166-1178
-
-
Camacho, C.J.1
Weng, Z.2
Vajda, S.3
DeLisi, C.4
-
25
-
-
0034049350
-
Kinetics of desolvation-mediated protein-protein binding
-
Camacho C.J., Kimura S.R., DeLisi C., and Vajda S. Kinetics of desolvation-mediated protein-protein binding. Biophys. J. 78 (2000) 1094-1105
-
(2000)
Biophys. J.
, vol.78
, pp. 1094-1105
-
-
Camacho, C.J.1
Kimura, S.R.2
DeLisi, C.3
Vajda, S.4
-
26
-
-
0031010107
-
The kinetics of protein-protein recognition
-
Janin J. The kinetics of protein-protein recognition. Proteins 28 (1997) 153-161
-
(1997)
Proteins
, vol.28
, pp. 153-161
-
-
Janin, J.1
-
27
-
-
0034607551
-
Evaluation of direct and cooperative contributions towards the strength of buried hydrogen bonds and salt bridges
-
Albeck S., Unger R., and Schreiber G. Evaluation of direct and cooperative contributions towards the strength of buried hydrogen bonds and salt bridges. J. Mol. Biol. 298 (2000) 503-520
-
(2000)
J. Mol. Biol.
, vol.298
, pp. 503-520
-
-
Albeck, S.1
Unger, R.2
Schreiber, G.3
-
28
-
-
0035142983
-
Calculation of weak protein-protein interactions: the pH dependence of the second virial coefficient
-
Elcock A.H., and McCammon J.A. Calculation of weak protein-protein interactions: the pH dependence of the second virial coefficient. Biophys. J. 80 (2001) 613-625
-
(2001)
Biophys. J.
, vol.80
, pp. 613-625
-
-
Elcock, A.H.1
McCammon, J.A.2
-
29
-
-
0028102849
-
Effect of conformational flexibility and solvation on receptor-ligand binding free energies
-
Vajda S., Weng Z., Rosenfeld R., and DeLisi C. Effect of conformational flexibility and solvation on receptor-ligand binding free energies. Biochemistry 33 (1994) 13977-13988
-
(1994)
Biochemistry
, vol.33
, pp. 13977-13988
-
-
Vajda, S.1
Weng, Z.2
Rosenfeld, R.3
DeLisi, C.4
-
30
-
-
0031547977
-
Empirical free energy calculations: a blind test and further improvements to the method
-
Novotny J., Bruccoleri R.E., Davis M., and Sharp K.A. Empirical free energy calculations: a blind test and further improvements to the method. J. Mol. Biol. 268 (1997) 401-411
-
(1997)
J. Mol. Biol.
, vol.268
, pp. 401-411
-
-
Novotny, J.1
Bruccoleri, R.E.2
Davis, M.3
Sharp, K.A.4
-
31
-
-
0024362070
-
On the attribution of binding energy in antigen-antibody complexes McPC 603, D1.3, and HyHEL-5
-
Novotny J., Bruccoleri R.E., and Saul F.A. On the attribution of binding energy in antigen-antibody complexes McPC 603, D1.3, and HyHEL-5. Biochemistry 28 (1989) 4735-4749
-
(1989)
Biochemistry
, vol.28
, pp. 4735-4749
-
-
Novotny, J.1
Bruccoleri, R.E.2
Saul, F.A.3
-
32
-
-
0032031405
-
Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction
-
Muegge I., Schweins T., and Warshel A. Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction. Proteins 30 (1998) 407-423
-
(1998)
Proteins
, vol.30
, pp. 407-423
-
-
Muegge, I.1
Schweins, T.2
Warshel, A.3
-
33
-
-
0033137131
-
Prediction of the binding energy for small molecules, peptides and proteins
-
Schapira M., Totrov M., and Abagyan R. Prediction of the binding energy for small molecules, peptides and proteins. J. Mol. Recognit. 12 (1999) 177-190
-
(1999)
J. Mol. Recognit.
, vol.12
, pp. 177-190
-
-
Schapira, M.1
Totrov, M.2
Abagyan, R.3
-
34
-
-
0035107570
-
Optimization of binding electrostatics: charge complementarity in the barnase-barstar protein complex
-
Lee L.P., and Tidor B. Optimization of binding electrostatics: charge complementarity in the barnase-barstar protein complex. Protein Sci. 10 (2001) 362-377
-
(2001)
Protein Sci.
, vol.10
, pp. 362-377
-
-
Lee, L.P.1
Tidor, B.2
-
35
-
-
0042710087
-
Computational alanine scanning to probe protein-protein interactions: a novel approach to evaluate binding free energies
-
Massova I., and Kollman P.A. Computational alanine scanning to probe protein-protein interactions: a novel approach to evaluate binding free energies. J. Am. Chem. Soc. 121 (1999) 8133-8143
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 8133-8143
-
-
Massova, I.1
Kollman, P.A.2
-
36
-
-
0034900495
-
Free energy decomposition of protein-protein interactions
-
Noskov S.Y., and Lim C. Free energy decomposition of protein-protein interactions. Biophys. J. 81 (2001) 737-750
-
(2001)
Biophys. J.
, vol.81
, pp. 737-750
-
-
Noskov, S.Y.1
Lim, C.2
-
37
-
-
0038650855
-
Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar
-
Dong F., Vijayakumar M., and Zhou H.-X. Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar. Biophys. J. 85 (2003) 49-60
-
(2003)
Biophys. J.
, vol.85
, pp. 49-60
-
-
Dong, F.1
Vijayakumar, M.2
Zhou, H.-X.3
-
38
-
-
4444301075
-
How optimal are the binding energetics of barnase and barstar?
-
Wang T., Tomic S., Gabdoulline R.R., and Wade R.C. How optimal are the binding energetics of barnase and barstar?. Biophys. J. 87 (2004) 1618-1630
-
(2004)
Biophys. J.
, vol.87
, pp. 1618-1630
-
-
Wang, T.1
Tomic, S.2
Gabdoulline, R.R.3
Wade, R.C.4
-
39
-
-
0029011701
-
-
Cornell W.D., Cieplak P., Bayly C.I., Gould I.R., Merz Jr. K.M., Ferguson D.M., Spellmeyer D.C., Fox T., Caldwell J.W., and Kollman P.A. J. Am. Chem. Soc. 117 (1995) 5179-5197
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz Jr., K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
40
-
-
84986512474
-
CHARMM: a program for macromolecular energy minimization and dynamics calculations
-
Brooks B.R., Bruccoleri R.E., Olafson B.D., States D.J., Swami-nathan S., and Karplus M. CHARMM: a program for macromolecular energy minimization and dynamics calculations. J. Comput. Chem. 4 (1983) 187-217
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swami-nathan, S.5
Karplus, M.6
-
41
-
-
0029016182
-
Classical electrostatics in biology and chemistry
-
Honig B., and Nicholls A. Classical electrostatics in biology and chemistry. Science 268 (1995) 1144-1149
-
(1995)
Science
, vol.268
, pp. 1144-1149
-
-
Honig, B.1
Nicholls, A.2
-
43
-
-
0037345158
-
Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields
-
Palmo K., Mannfors B., Mirkin N.G., and Krimm S. Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields. Biopolymers 68 (2003) 383-394
-
(2003)
Biopolymers
, vol.68
, pp. 383-394
-
-
Palmo, K.1
Mannfors, B.2
Mirkin, N.G.3
Krimm, S.4
-
44
-
-
0038061657
-
Analysis of the pyramidalization of the peptide group nitrogen: implications for molecular mechanics energy functions
-
Mannfors B.E., Mirkin N.G., Palmo K., and Krimm S. Analysis of the pyramidalization of the peptide group nitrogen: implications for molecular mechanics energy functions. J. Phys. Chem., A 107 (2003) 1825-1832
-
(2003)
J. Phys. Chem., A
, vol.107
, pp. 1825-1832
-
-
Mannfors, B.E.1
Mirkin, N.G.2
Palmo, K.3
Krimm, S.4
-
45
-
-
30444431852
-
A polarizable force field and continuum solvation methodology for modeling of protein-ligand interactions
-
Maple J.R., Cao Y., Damm W., Halgren T., Kaminski G., Zhang L., and Freisner R. A polarizable force field and continuum solvation methodology for modeling of protein-ligand interactions. J. Chem. Theory Comput. 1 (2005) 694-715
-
(2005)
J. Chem. Theory Comput.
, vol.1
, pp. 694-715
-
-
Maple, J.R.1
Cao, Y.2
Damm, W.3
Halgren, T.4
Kaminski, G.5
Zhang, L.6
Freisner, R.7
-
46
-
-
0037899660
-
Polarizable atomic multipole water model for molecular mechanics simulation
-
Ren P., and Ponder J.W. Polarizable atomic multipole water model for molecular mechanics simulation. J. Phys. Chem., B 107 (2003) 5933-5947
-
(2003)
J. Phys. Chem., B
, vol.107
, pp. 5933-5947
-
-
Ren, P.1
Ponder, J.W.2
-
47
-
-
0032833998
-
The role of polarization and charge transfer in the solvation of biomolecules
-
van der Vaart A., and Merz Jr. K.M. The role of polarization and charge transfer in the solvation of biomolecules. J. Am. Chem. Soc. 121 (1999) 9182-9190
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 9182-9190
-
-
van der Vaart, A.1
Merz Jr., K.M.2
-
48
-
-
0028074974
-
Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution
-
Buckle A.M., Schreiber G., and Fersht A.R. Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution. Biochemistry 33 (1994) 8878-8889
-
(1994)
Biochemistry
, vol.33
, pp. 8878-8889
-
-
Buckle, A.M.1
Schreiber, G.2
Fersht, A.R.3
-
49
-
-
0000121375
-
Divide and conquer interaction energy decomposition
-
van der Vaart A., and Merz Jr. K.M. Divide and conquer interaction energy decomposition. J. Phys. Chem., A 103 (1999) 3321-3329
-
(1999)
J. Phys. Chem., A
, vol.103
, pp. 3321-3329
-
-
van der Vaart, A.1
Merz Jr., K.M.2
-
50
-
-
0043144732
-
A density-matrix divide-and-conquer approach for electronic structure calculations of large molecules
-
Yang W., and Lee T.-S. A density-matrix divide-and-conquer approach for electronic structure calculations of large molecules. J. Chem. Phys. 103 (1995) 5674-5678
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 5674-5678
-
-
Yang, W.1
Lee, T.-S.2
-
51
-
-
4143104515
-
Semiempirical molecular orbital calculations with linear system size scaling
-
Dixon S.L., and Merz Jr. K.M. Semiempirical molecular orbital calculations with linear system size scaling. J. Chem. Phys. 104 (1996) 6643-6649
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 6643-6649
-
-
Dixon, S.L.1
Merz Jr., K.M.2
-
52
-
-
0346506503
-
Fast, accurate semiempirical molecular orbital calculations for macromolecules
-
Dixon S.L., and Merz Jr. K.M. Fast, accurate semiempirical molecular orbital calculations for macromolecules. J. Chem. Phys. 107 (1997) 879-893
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 879-893
-
-
Dixon, S.L.1
Merz Jr., K.M.2
-
53
-
-
0027177102
-
Interaction of barnase with its polypeptide inhibitor barstar studied by protein engineering
-
Schreiber G., and Fersht A.R. Interaction of barnase with its polypeptide inhibitor barstar studied by protein engineering. Biochemistry 32 (1993) 5145-5150
-
(1993)
Biochemistry
, vol.32
, pp. 5145-5150
-
-
Schreiber, G.1
Fersht, A.R.2
-
54
-
-
0027318108
-
Directed mutagenesis and barnase-barstar recognition
-
Hartley R.W. Directed mutagenesis and barnase-barstar recognition. Biochemistry 32 (1993) 5978-5984
-
(1993)
Biochemistry
, vol.32
, pp. 5978-5984
-
-
Hartley, R.W.1
-
55
-
-
0029873697
-
Rapid, electrostatically assisted association of proteins
-
Schreiber G., and Fersht A.R. Rapid, electrostatically assisted association of proteins. Nat. Struct. Biol. 3 (1996) 427-431
-
(1996)
Nat. Struct. Biol.
, vol.3
, pp. 427-431
-
-
Schreiber, G.1
Fersht, A.R.2
-
56
-
-
0031450506
-
Hydrogen bonds and salt bridges across protein-protein interfaces
-
Xu D., Tsai C.J., and Nussinov R. Hydrogen bonds and salt bridges across protein-protein interfaces. Protein Eng. 10 (1997) 999-1012
-
(1997)
Protein Eng.
, vol.10
, pp. 999-1012
-
-
Xu, D.1
Tsai, C.J.2
Nussinov, R.3
-
57
-
-
0035160537
-
Barstar is electrostatically optimized for tight binding to barnase
-
Lee L.P., and Tidor B. Barstar is electrostatically optimized for tight binding to barnase. Nat. Struct. Biol. 8 (2001) 73-76
-
(2001)
Nat. Struct. Biol.
, vol.8
, pp. 73-76
-
-
Lee, L.P.1
Tidor, B.2
-
59
-
-
0032097513
-
Quantum mechanical treatment of biological macromolecules in solution using linear-scaling electronic structure methods
-
York D.M., Lee T.S., and Yang W. Quantum mechanical treatment of biological macromolecules in solution using linear-scaling electronic structure methods. Phys. Rev. Lett. 80 (1998) 5011-5014
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 5011-5014
-
-
York, D.M.1
Lee, T.S.2
Yang, W.3
-
60
-
-
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
-
61
-
-
0003056547
-
The origin of the problem with the PM3 core repulsion function
-
Csonka G.I., and Angyan J.G. The origin of the problem with the PM3 core repulsion function. J. Mol. Struct. 393 (1997) 31-38
-
(1997)
J. Mol. Struct.
, vol.393
, pp. 31-38
-
-
Csonka, G.I.1
Angyan, J.G.2
-
62
-
-
0034299432
-
Are many-body effects important in protein folding?
-
van der Vaart A., and Merz Jr. K.M. Are many-body effects important in protein folding?. J. Phys. Chem., B 104 (1999) 9554-9563
-
(1999)
J. Phys. Chem., B
, vol.104
, pp. 9554-9563
-
-
van der Vaart, A.1
Merz Jr., K.M.2
-
63
-
-
33645522435
-
A self-consistent space-domain decomposition method for QM/MM computations of protein electrostatic potentials
-
Gascon J.A., Leung S.S.F., Batista E.R., and Batista V.S. A self-consistent space-domain decomposition method for QM/MM computations of protein electrostatic potentials. J. Chem. Theory Comput. 2 (2006) 175-186
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 175-186
-
-
Gascon, J.A.1
Leung, S.S.F.2
Batista, E.R.3
Batista, V.S.4
-
64
-
-
0036306236
-
On the role of electrostatic interactions in the design of protein-protein interfaces
-
Sheinerman F.B., and Honig B. On the role of electrostatic interactions in the design of protein-protein interfaces. J. Mol. Biol. 318 (2002) 161-177
-
(2002)
J. Mol. Biol.
, vol.318
, pp. 161-177
-
-
Sheinerman, F.B.1
Honig, B.2
-
65
-
-
0038650855
-
Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar
-
Dong F., Vijayakumar M., and Zhou H.X. Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar. Biophys. J. 85 (2003) 49-60
-
(2003)
Biophys. J.
, vol.85
, pp. 49-60
-
-
Dong, F.1
Vijayakumar, M.2
Zhou, H.X.3
-
67
-
-
0000807426
-
Hydrogen bonds: a comparison of semiempirical and ab initio treatments
-
Dannenberg J.J. Hydrogen bonds: a comparison of semiempirical and ab initio treatments. J. Mol. Struct. 401 (1997) 279-286
-
(1997)
J. Mol. Struct.
, vol.401
, pp. 279-286
-
-
Dannenberg, J.J.1
-
68
-
-
0032569220
-
Direct observation of hydrogen bonds in nucleic acid base pairs by internucleotide 2JNN couplings
-
Dingley A.J., and Grzesiek S. Direct observation of hydrogen bonds in nucleic acid base pairs by internucleotide 2JNN couplings. J. Am. Chem. Soc. 120 (1998) 8293-8297
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 8293-8297
-
-
Dingley, A.J.1
Grzesiek, S.2
-
69
-
-
0033014805
-
-
Golubev N.S., Shenderovich I.G., Smirnov S.N., Denisov G.S., and Limbach H.-H. Chem. Eur. J. 5 (1999) 492-497
-
(1999)
Chem. Eur. J.
, vol.5
, pp. 492-497
-
-
Golubev, N.S.1
Shenderovich, I.G.2
Smirnov, S.N.3
Denisov, G.S.4
Limbach, H.-H.5
-
70
-
-
0033599303
-
Direct observation of hydrogen bonds in proteins by interresidue 3hJNC′ scalar couplings
-
Cordier F., and Grzesiek S. Direct observation of hydrogen bonds in proteins by interresidue 3hJNC′ scalar couplings. J. Am. Chem. Soc. 121 (1999) 1601-1602
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 1601-1602
-
-
Cordier, F.1
Grzesiek, S.2
-
71
-
-
0033620446
-
Identification of the hydrogen bonding network in a protein by scalar couplings
-
Cornilescu G., Hu J.-S., and Bax A. Identification of the hydrogen bonding network in a protein by scalar couplings. J. Am. Chem. Soc. 121 (1999) 2949-2950
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 2949-2950
-
-
Cornilescu, G.1
Hu, J.-S.2
Bax, A.3
-
72
-
-
0001087855
-
-
Isaacs E.D., Shukla A., Platzman P.M., Hamann D.R., Barbiellini B., and Tulk C.A. Phys. Rev. Lett. 82 (1999) 600-603
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 600-603
-
-
Isaacs, E.D.1
Shukla, A.2
Platzman, P.M.3
Hamann, D.R.4
Barbiellini, B.5
Tulk, C.A.6
-
73
-
-
0035281357
-
Computer simulation of protein-protein interactions
-
Elcock A.H., Sept D., and McCammon J.A. Computer simulation of protein-protein interactions. J. Phys. Chem., B 105 (2001) 1504-1518
-
(2001)
J. Phys. Chem., B
, vol.105
, pp. 1504-1518
-
-
Elcock, A.H.1
Sept, D.2
McCammon, J.A.3
-
74
-
-
0029056922
-
Energetics of protein-protein interactions: analysis of the barnase-barstar interface by single mutations and double mutant cycles
-
Schreiber G., and Fersht A.R. Energetics of protein-protein interactions: analysis of the barnase-barstar interface by single mutations and double mutant cycles. J. Mol. Biol. 248 (1995) 478-486
-
(1995)
J. Mol. Biol.
, vol.248
, pp. 478-486
-
-
Schreiber, G.1
Fersht, A.R.2
-
75
-
-
0031552366
-
Thermodynamics of the interaction of barnase and barstar: changes in free energy versus changes in enthalpy on mutation
-
Frisch C., Schreiber G., Johnson C.M., and Fersht A.R. Thermodynamics of the interaction of barnase and barstar: changes in free energy versus changes in enthalpy on mutation. J. Mol. Biol. 267 (1997) 696-706
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 696-706
-
-
Frisch, C.1
Schreiber, G.2
Johnson, C.M.3
Fersht, A.R.4
-
78
-
-
0004016501
-
-
Jorgensen W.L., Chandrasekhar J., Madura J., Impey R.W., and Klein M.L. J. Chem. Phys. 79 (1983) 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
-
79
-
-
0004023353
-
-
University of California, San Francisco
-
Case D.A., Pearlman D.A., Caldwell J.W., Cheatham III T.E., Ross W.S., Simmerling C.L., Darden T.A., Merz K.M., Stanton R.V., Cheng A.L., Vincent J.J., Crowley M., Ferguson D.M., Radmer R.J., Seibel G.L., Singh U.C., Weiner P.K., and Kollman P.A. AMBER vol. 5 (1997), University of California, San Francisco
-
(1997)
AMBER
, vol.5
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham III, T.E.4
Ross, W.S.5
Simmerling, C.L.6
Darden, T.A.7
Merz, K.M.8
Stanton, R.V.9
Cheng, A.L.10
Vincent, J.J.11
Crowley, M.12
Ferguson, D.M.13
Radmer, R.J.14
Seibel, G.L.15
Singh, U.C.16
Weiner, P.K.17
Kollman, P.A.18
-
80
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion for a system with constraints: molecular dynamics of n-alkanes
-
Ryckaert J., Ciccotti G., and Berendsen H. Numerical integration of the Cartesian equations of motion for a system with constraints: molecular dynamics of n-alkanes. J. Comput. Phys. 23 (1977) 327-341
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.1
Ciccotti, G.2
Berendsen, H.3
-
81
-
-
33846823909
-
Particle Mesh Ewald: an N log(N) method for Ewald sums in large systems
-
Darden T.A., 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
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089
-
-
Darden, T.A.1
York, D.2
Pedersen, L.3
-
85
-
-
84962467100
-
Fully quantum mechanical description of proteins in solution. Combining linear scaling quantum mechanical methodologies with the Poisson-Boltzmann equation
-
Gogonea V., and Merz Jr. K.M. Fully quantum mechanical description of proteins in solution. Combining linear scaling quantum mechanical methodologies with the Poisson-Boltzmann equation. J. Phys. Chem., A 103 (1999) 5171-5188
-
(1999)
J. Phys. Chem., A
, vol.103
, pp. 5171-5188
-
-
Gogonea, V.1
Merz Jr., K.M.2
-
86
-
-
0000958036
-
New class IV charge model for extracting accurate partial charges from wave functions
-
Li J., Zhu T., Cramer C.J., and Truhlar D.G. New class IV charge model for extracting accurate partial charges from wave functions. J. Phys. Chem., A 102 (1998) 1820-1831
-
(1998)
J. Phys. Chem., A
, vol.102
, pp. 1820-1831
-
-
Li, J.1
Zhu, T.2
Cramer, C.J.3
Truhlar, D.G.4
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