-
2
-
-
0027553392
-
Electric potential distributions around discrete charges in a dielectric membrane-electrolyte solution system
-
Arakelian VB, Walther D, Donath E. 1993. Electric potential distributions around discrete charges in a dielectric membrane-electrolyte solution system. Colloid Polym Sci 270:268-276.
-
(1993)
Colloid Polym Sci
, vol.270
, pp. 268-276
-
-
Arakelian, V.B.1
Walther, D.2
Donath, E.3
-
3
-
-
0000134445
-
Vibrational normal-mode spectrum of globular proteins
-
ben-Avraham D. 1993. Vibrational normal-mode spectrum of globular proteins. Physiol Rev B 47:14559-14560.
-
(1993)
Physiol Rev B
, vol.47
, pp. 14559-14560
-
-
Ben-Avraham, D.1
-
4
-
-
0025057072
-
A serine protease triad forms the catalytic centre of a triacylglycerol lipase
-
Brady L, Brzozowski AM, Derewenda ZS, Dodson E, Dodson G, Tolley S, Turkenburg JP, Christiansen L, Huge-Jensen B, Norskov L, Thim L, Menge U. 1990. A serine protease triad forms the catalytic centre of a triacylglycerol lipase. Nature 343:767-770.
-
(1990)
Nature
, vol.343
, pp. 767-770
-
-
Brady, L.1
Brzozowski, A.M.2
Derewenda, Z.S.3
Dodson, E.4
Dodson, G.5
Tolley, S.6
Turkenburg, J.P.7
Christiansen, L.8
Huge-Jensen, B.9
Norskov, L.10
Thim, L.11
Menge, U.12
-
5
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathan S, Karplus M. 1983. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 4:187-217.
-
(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
Swaminathan, S.5
Karplus, M.6
-
6
-
-
0022111715
-
Normal modes for specific motions of macromolecules: Application to the hinge-bending mode of lysozyme
-
Brooks B, Karplus M. 1985. Normal modes for specific motions of macromolecules: Application to the hinge-bending mode of lysozyme. Proc Natl Acad Sci USA 82:4995-4999.
-
(1985)
Proc Natl Acad Sci USA
, vol.82
, pp. 4995-4999
-
-
Brooks, B.1
Karplus, M.2
-
7
-
-
0000885331
-
Harmonic analysis of large systems. I. Methodology
-
Brooks BR, Janežič D, Karplus M. 1995. Harmonic analysis of large systems. I. Methodology. J Comput Chem 16:1522-1542.
-
(1995)
J Comput Chem
, vol.16
, pp. 1522-1542
-
-
Brooks, B.R.1
Janežič, D.2
Karplus, M.3
-
8
-
-
84988057883
-
Spatially constrained minimization of macromolecules
-
Bruccoleri RE, Karplus M. 1986. Spatially constrained minimization of macromolecules. J Comput Chem 7:165-175.
-
(1986)
J Comput Chem
, vol.7
, pp. 165-175
-
-
Bruccoleri, R.E.1
Karplus, M.2
-
9
-
-
0024250301
-
Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison
-
Brünger AT, Karplus M. 1988. Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison. Proteins Struct Funct Genet 4:148-156.
-
(1988)
Proteins Struct Funct Genet
, vol.4
, pp. 148-156
-
-
Brünger, A.T.1
Karplus, M.2
-
10
-
-
0026418174
-
A model for interfacial activation in lipases from the structure of fungal lipase-inhibitor complex
-
Brzozowski AM, Derewenda U, Derewenda ZS, Dodson GG, Lawson DM, Turkenburg JP, Bjorkling F, Huge-Jensen B, Patkar SA, Thim L. 1991. A model for interfacial activation in lipases from the structure of fungal lipase-inhibitor complex. Nature 351:491-494.
-
(1991)
Nature
, vol.351
, pp. 491-494
-
-
Brzozowski, A.M.1
Derewenda, U.2
Derewenda, Z.S.3
Dodson, G.G.4
Lawson, D.M.5
Turkenburg, J.P.6
Bjorkling, F.7
Huge-Jensen, B.8
Patkar, S.A.9
Thim, L.10
-
11
-
-
0026550733
-
Catalysis at the interface: The anatomy of a conformational change in a triglyceride lipase
-
Derewenda U, Brzozowski AM, Lawson DM, Derewenda ZS. 1992a. Catalysis at the interface: The anatomy of a conformational change in a triglyceride lipase. Biochemistry 31:1532-1541.
-
(1992)
Biochemistry
, vol.31
, pp. 1532-1541
-
-
Derewenda, U.1
Brzozowski, A.M.2
Lawson, D.M.3
Derewenda, Z.S.4
-
12
-
-
0026786234
-
The crystal and molecular structure of the Rhizomucor miehei triacylglyceride lipase at 1.9 Å resolution
-
Derewenda ZS, Derewenda U, Dodson GG. 1992b. The crystal and molecular structure of the Rhizomucor miehei triacylglyceride lipase at 1.9 Å resolution. J Mol Biol 227:818-839.
-
(1992)
J Mol Biol
, vol.227
, pp. 818-839
-
-
Derewenda, Z.S.1
Derewenda, U.2
Dodson, G.G.3
-
13
-
-
0023140044
-
Multiple conformational states of proteins - A molecular-dynamics analysis of myoglobin
-
Elber R, Karplus M. 1987. Multiple conformational states of proteins - A molecular-dynamics analysis of myoglobin. Science 235:318-321.
-
(1987)
Science
, vol.235
, pp. 318-321
-
-
Elber, R.1
Karplus, M.2
-
14
-
-
0000231955
-
Conjugate peak refinement: An algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
-
Fischer S, Karplus M. 1992. Conjugate peak refinement: An algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom. Chem Phys Lett 194:252-261.
-
(1992)
Chem Phys Lett
, vol.194
, pp. 252-261
-
-
Fischer, S.1
Karplus, M.2
-
15
-
-
0025066772
-
Normal mode analysis of human lysozyme: Study of the relative motion of the two domains and characterization of the harmonic motion
-
Gibrat J-F, Gö N. 1990. Normal mode analysis of human lysozyme: Study of the relative motion of the two domains and characterization of the harmonic motion. Proteins Struct Funct Genet 8:258-279.
-
(1990)
Proteins Struct Funct Genet
, vol.8
, pp. 258-279
-
-
Gibrat, J.-F.1
Gö, N.2
-
16
-
-
0029066848
-
Theory of electrostatic interactions in macromolecules
-
Gilson MK. 1995. Theory of electrostatic interactions in macromolecules. Curr Opin Struct Biol 5:216-223.
-
(1995)
Curr Opin Struct Biol
, vol.5
, pp. 216-223
-
-
Gilson, M.K.1
-
17
-
-
0030460276
-
Graphical interface for ProDom domain families
-
Gouzy J, Corpet F, Kahn D. 1996. Graphical interface for ProDom domain families. Trends Biochem Sci 21:493.
-
(1996)
Trends Biochem Sci
, vol.21
, pp. 493
-
-
Gouzy, J.1
Corpet, F.2
Kahn, D.3
-
18
-
-
0000081668
-
Collective variable description of native protein dynamics
-
Hayward S, Go N. 1995. Collective variable description of native protein dynamics. Annu Rev Physiol Chem 46:223-250.
-
(1995)
Annu Rev Physiol Chem
, vol.46
, pp. 223-250
-
-
Hayward, S.1
Go, N.2
-
19
-
-
0027261556
-
The role of arginines in stabilizing the active open-lid conformation of Rhizomucor miehei lipase
-
Holmquist M, Norin M, Hult K. 1993. The role of arginines in stabilizing the active open-lid conformation of Rhizomucor miehei lipase. Lipids 28:721-726.
-
(1993)
Lipids
, vol.28
, pp. 721-726
-
-
Holmquist, M.1
Norin, M.2
Hult, K.3
-
20
-
-
84986473952
-
Harmonic analysis of large systems. III. Comparison with molecular dynamics
-
Janežič D, Venable RM, Brooks BR. 1995. Harmonic analysis of large systems. III. Comparison with molecular dynamics. J Comput Chem 16:1554-1566.
-
(1995)
J Comput Chem
, vol.16
, pp. 1554-1566
-
-
Janežič, D.1
Venable, R.M.2
Brooks, B.R.3
-
21
-
-
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 79:926-935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
22
-
-
0026244229
-
MOLSCRIPT: A program to produce both detailed and schematic plots of protein structures
-
Kraulis PJ. 1991. MOLSCRIPT: A program to produce both detailed and schematic plots of protein structures. J Appl Crystallogr 24:946-950.
-
(1991)
J Appl Crystallogr
, vol.24
, pp. 946-950
-
-
Kraulis, P.J.1
-
23
-
-
0024795316
-
The effects of truncating long-range forces on protein dynamics
-
Loncharich RJ, Brooks BR. 1989. The effects of truncating long-range forces on protein dynamics. Proteins Struct Funct Genet 6:32-45.
-
(1989)
Proteins Struct Funct Genet
, vol.6
, pp. 32-45
-
-
Loncharich, R.J.1
Brooks, B.R.2
-
24
-
-
0030700726
-
Ligand-induced conformational changes in ras p21: A normal mode and energy minimization analysis
-
Ma J, Karplus M. 1997. Ligand-induced conformational changes in ras p21: A normal mode and energy minimization analysis. J Mol Biol 274:114-131.
-
(1997)
J Mol Biol
, vol.274
, pp. 114-131
-
-
Ma, J.1
Karplus, M.2
-
25
-
-
0029560322
-
Hinge-bending motion in citrate synthase arising from normal mode calculations
-
Marques O, Sanejouand Y-H. 1995. Hinge-bending motion in citrate synthase arising from normal mode calculations. Proteins Struct Funct Genet 23:557-560.
-
(1995)
Proteins Struct Funct Genet
, vol.23
, pp. 557-560
-
-
Marques, O.1
Sanejouand, Y.-H.2
-
26
-
-
0027576952
-
Diagonalization in a mixed basis: A method to compute low-frequency normal modes for large macromolecules
-
Mouawad L, Perahia D. 1993. Diagonalization in a mixed basis: A method to compute low-frequency normal modes for large macromolecules. Biopolymers 33:599-611.
-
(1993)
Biopolymers
, vol.33
, pp. 599-611
-
-
Mouawad, L.1
Perahia, D.2
-
27
-
-
0029937635
-
Motions in hemoglobin studied by normal mode analysis and energy minimization: Evidence for the existence of tertiary T-like, quaternary R-like intermediate structures
-
Mouawad L, Perahia D. 1996. Motions in hemoglobin studied by normal mode analysis and energy minimization: Evidence for the existence of tertiary T-like, quaternary R-like intermediate structures. J Mol Biol 258:393-410.
-
(1996)
J Mol Biol
, vol.258
, pp. 393-410
-
-
Mouawad, L.1
Perahia, D.2
-
28
-
-
0000036869
-
Simulation of activation free energies in molecular systems
-
Neria E, Fischer S, Karplus M. 1996. Simulation of activation free energies in molecular systems. J Chem Phys 105:1902-1921.
-
(1996)
J Chem Phys
, vol.105
, pp. 1902-1921
-
-
Neria, E.1
Fischer, S.2
Karplus, M.3
-
29
-
-
0028146056
-
Molecular dynamics simulations of an enzyme surrounded by vacuum, water, or a hydrophobic solvent
-
Norin M, Haeffner F, Hult K, Edholm O. 1994. Molecular dynamics simulations of an enzyme surrounded by vacuum, water, or a hydrophobic solvent. Biophys J 67:548-559.
-
(1994)
Biophys J
, vol.67
, pp. 548-559
-
-
Norin, M.1
Haeffner, F.2
Hult, K.3
Edholm, O.4
-
30
-
-
0027332826
-
Theoretical studies of Rhizomucor miehei lipase activation
-
Norin M, Olsen O, Svendsen A, Edholm O, Hult K. 1993. Theoretical studies of Rhizomucor miehei lipase activation. Protein Eng 6:855-863.
-
(1993)
Protein Eng
, vol.6
, pp. 855-863
-
-
Norin, M.1
Olsen, O.2
Svendsen, A.3
Edholm, O.4
Hult, K.5
-
31
-
-
0027081912
-
SQUID: A program for the analysis and display of data from crystallography and molecular dynamics
-
Oldfield TJ. 1992. SQUID: A program for the analysis and display of data from crystallography and molecular dynamics. J Mol Graphics 10:247-252.
-
(1992)
J Mol Graphics
, vol.10
, pp. 247-252
-
-
Oldfield, T.J.1
-
32
-
-
0029374782
-
Computation of low-frequency normal modes in macromolecules: Improvements to the method of diagonalization in a mixed basis and application to hemoglobin
-
Perahia D, Mouawad L. 1995. Computation of low-frequency normal modes in macromolecules: Improvements to the method of diagonalization in a mixed basis and application to hemoglobin. Comput Chem 19:241-246.
-
(1995)
Comput Chem
, vol.19
, pp. 241-246
-
-
Perahia, D.1
Mouawad, L.2
-
33
-
-
0029933809
-
Theoretical investigation of the dynamics of the active site lid in Rhizomucor miehei lipase
-
Peters GH, Olsen OH, Svendsen A, Wade RC. 1996a. Theoretical investigation of the dynamics of the active site lid in Rhizomucor miehei lipase. Biophys J 71:119-129.
-
(1996)
Biophys J
, vol.71
, pp. 119-129
-
-
Peters, G.H.1
Olsen, O.H.2
Svendsen, A.3
Wade, R.C.4
-
34
-
-
0029926518
-
Dynamics of proteins in different solvent systems: Analysis of essential motion in lipases
-
Peters GH, van Aalten DMF, Edholm O, Toxvaerd S, Bywater R. 1996b. Dynamics of proteins in different solvent systems: Analysis of essential motion in lipases. Biophys J 71:2245-2255.
-
(1996)
Biophys J
, vol.71
, pp. 2245-2255
-
-
Peters, G.H.1
Van Aalten, D.M.F.2
Edholm, O.3
Toxvaerd, S.4
Bywater, R.5
-
35
-
-
0031042532
-
Computational studies of the activation of lipases and the effect of a hydrophobic environment
-
Peters GH, Toxvaerd S, Olsen OH, Svendsen A. 1997a. Computational studies of the activation of lipases and the effect of a hydrophobic environment. Protein Eng 10:137-147.
-
(1997)
Protein Eng
, vol.10
, pp. 137-147
-
-
Peters, G.H.1
Toxvaerd, S.2
Olsen, O.H.3
Svendsen, A.4
-
36
-
-
0031042565
-
Essential dynamics of lipase binding sites: The effect of inhibitors of different chain length
-
Peters GH, van Aalten DMF, Svendsen A, Bywater R. 1997b. Essential dynamics of lipase binding sites: The effect of inhibitors of different chain length. Protein Eng 10:149-158.
-
(1997)
Protein Eng
, vol.10
, pp. 149-158
-
-
Peters, G.H.1
Van Aalten, D.M.F.2
Svendsen, A.3
Bywater, R.4
-
37
-
-
0029929393
-
+H ion-pair in one type of serine proteinase architecture by kinetic and computational studies on chemically mutated subtilisin variants
-
+H ion-pair in one type of serine proteinase architecture by kinetic and computational studies on chemically mutated subtilisin variants. J Mol Biol 257:1088-111.
-
(1996)
J Mol Biol
, vol.257
, pp. 1088-1111
-
-
Plou, F.J.1
Kowlessur, D.2
Malthouse, J.P.G.3
Mellor, G.W.4
Hartshorn, M.J.5
Pinitglang, S.6
Patel, H.7
Topham, C.M.8
Thomas, E.W.9
Verma, C.10
Brocklehurst, K.11
-
38
-
-
0029022540
-
Anharmonic wave functions of proteins: Quantum self-consistent field calculations of BPTI
-
Roitberg A, Gerber RB, Elber R, Ratner MA. 1995. Anharmonic wave functions of proteins: Quantum self-consistent field calculations of BPTI. Science 268:1319-1322.
-
(1995)
Science
, vol.268
, pp. 1319-1322
-
-
Roitberg, A.1
Gerber, R.B.2
Elber, R.3
Ratner, M.A.4
-
39
-
-
0001406913
-
Action de la lipase pancréatique sur les esters en emulsion
-
Sarda L, Desnuelle P. 1958. Action de la lipase pancréatique sur les esters en emulsion. Biochim Biophys Acta 30:513-521.
-
(1958)
Biochim Biophys Acta
, vol.30
, pp. 513-521
-
-
Sarda, L.1
Desnuelle, P.2
-
40
-
-
0030004936
-
Analysis of the low frequency normal modes of the T-state of aspartate transcarbamylase
-
Thomas A, Field MJ, Mouawad L, Perahia D. 1996a. Analysis of the low frequency normal modes of the T-state of aspartate transcarbamylase. J Mol Biol 257:1070-1087.
-
(1996)
J Mol Biol
, vol.257
, pp. 1070-1087
-
-
Thomas, A.1
Field, M.J.2
Mouawad, L.3
Perahia, D.4
-
41
-
-
0030599027
-
Analysis of the low-frequency normal modes of the R state of aspartate transcarbamylase and a comparison with the T state modes
-
Thomas A, Field MJ, Perahia D. 1996b. Analysis of the low-frequency normal modes of the R state of aspartate transcarbamylase and a comparison with the T state modes. J Mol Biol 261:490-506.
-
(1996)
J Mol Biol
, vol.261
, pp. 490-506
-
-
Thomas, A.1
Field, M.J.2
Perahia, D.3
-
42
-
-
0002156987
-
Industrial applications of lipases
-
Woolley P. Petersen SB, eds. Cambridge, UK: Cambridge University Press.
-
Vulfson EN. 1994. Industrial applications of lipases. In: Woolley P. Petersen SB, eds. Lipases - Their structure, biochemistry and application. Cambridge, UK: Cambridge University Press. pp 271-288.
-
(1994)
Lipases - Their Structure, Biochemistry and Application
, pp. 271-288
-
-
Vulfson, E.N.1
-
43
-
-
0027446430
-
Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme
-
Wade RC, Davis ME, Luty BA, Madura JD, McCammon JA. 1993. Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme. Biophys J 64:9-15.
-
(1993)
Biophys J
, vol.64
, pp. 9-15
-
-
Wade, R.C.1
Davis, M.E.2
Luty, B.A.3
Madura, J.D.4
McCammon, J.A.5
-
44
-
-
0028367073
-
Simulation of enzyme-substrate encounter with gated active sites
-
Wade RC, Luty BA, Demchuk E, Madura JD, Davis ME, Briggs JM, McCammon JA. 1994. Simulation of enzyme-substrate encounter with gated active sites. Nat Struct Biol 1:65-69.
-
(1994)
Nat Struct Biol
, vol.1
, pp. 65-69
-
-
Wade, R.C.1
Luty, B.A.2
Demchuk, E.3
Madura, J.D.4
Davis, M.E.5
Briggs, J.M.6
McCammon, J.A.7
|