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Results: 1-25/52
Authors:
JENSEN GM
BUNTE SW
WARSHEL A
GOODIN DB
Citation: Gm. Jensen et al., ENERGETICS OF CATION-RADICAL FORMATION AT THE PROXIMAL ACTIVE-SITE TRYPTOPHAN OF CYTOCHROME-C PEROXIDASE AND ASCORBATE PEROXIDASE, JOURNAL OF PHYSICAL CHEMISTRY B, 102(42), 1998, pp. 8221-8228
Authors:
FLORIAN J
WARSHEL A
Citation: J. Florian et A. Warshel, PHOSPHATE ESTER HYDROLYSIS IN AQUEOUS-SOLUTION - ASSOCIATIVE VERSUS DISSOCIATIVE MECHANISMS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(4), 1998, pp. 719-734
Authors:
PAPAZYAN A
WARSHEL A
Citation: A. Papazyan et A. Warshel, EFFECT OF SOLVENT DISCRETENESS ON SOLVATION, JOURNAL OF PHYSICAL CHEMISTRY B, 102(27), 1998, pp. 5348-5357
Authors:
BENTZIEN J
MULLER RP
FLORIAN J
WARSHEL A
Citation: J. Bentzien et al., HYBRID AB-INITIO QUANTUM-MECHANICS MOLECULAR MECHANICS CALCULATIONS OF FREE-ENERGY SURFACES FOR ENZYMATIC-REACTIONS - THE NUCLEOPHILIC-ATTACK IN SUBTILISIN, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2293-2301
Authors:
WARSHEL A
PAPAZYAN A
Citation: A. Warshel et A. Papazyan, ELECTROSTATIC EFFECTS IN MACROMOLECULES - FUNDAMENTAL-CONCEPTS AND PRACTICAL MODELING, Current opinion in structural biology, 8(2), 1998, pp. 211-217
Authors:
MUEGGE I
SCHWEINS T
WARSHEL A
Citation: I. Muegge et al., ELECTROSTATIC CONTRIBUTIONS TO PROTEIN-PROTEIN BINDING AFFINITIES - APPLICATION TO RAP RAF INTERACTION/, Proteins, 30(4), 1998, pp. 407-423
Authors:
PARSON WW
CHU ZT
WARSHEL A
Citation: Ww. Parson et al., OSCILLATIONS OF THE ENERGY-GAP FOR THE INITIAL ELECTRON-TRANSFER STEPIN BACTERIAL REACTION CENTERS, Photosynthesis research, 55(2-3), 1998, pp. 147-152
Authors:
WARSHEL A
FLORIAN J
Citation: A. Warshel et J. Florian, COMPUTER-SIMULATIONS OF ENZYME CATALYSIS - FINDING OUT WHAT HAS BEEN OPTIMIZED BY EVOLUTION, Proceedings of the National Academy of Sciences of the United Statesof America, 95(11), 1998, pp. 5950-5955
Authors:
SHAM YY
WARSHEL A
Citation: Yy. Sham et A. Warshel, THE SURFACE CONSTRAINT ALL ATOM MODEL PROVIDES SIZE INDEPENDENT RESULTS IN CALCULATIONS OF HYDRATION FREE-ENERGIES, The Journal of chemical physics, 109(18), 1998, pp. 7940-7944
Authors:
WARSHEL A
Citation: A. Warshel, ELECTROSTATIC ORIGIN OF THE CATALYTIC POWER OF ENZYMES AND THE ROLE OF PREORGANIZED ACTIVE-SITES, The Journal of biological chemistry, 273(42), 1998, pp. 27035-27038
Authors:
SHAM YY
MUEGGE I
WARSHEL A
Citation: Yy. Sham et al., THE EFFECT OF PROTEIN RELAXATION ON CHARGE-CHARGE INTERACTIONS AND DIELECTRIC-CONSTANTS OF PROTEINS, Biophysical journal, 74(4), 1998, pp. 1744-1753
Authors:
PARSON WW
CHU ZT
WARSHEL A
Citation: Ww. Parson et al., REORGANIZATION ENERGY OF THE INITIAL ELECTRON-TRANSFER STEP IN PHOTOSYNTHETIC BACTERIAL REACTION CENTERS, Biophysical journal, 74(1), 1998, pp. 182-191
Authors:
FLORIAN J
AQVIST J
WARSHEL A
Citation: J. Florian et al., ON THE REACTIVITY OF PHOSPHATE MONOESTER DIANIONS IN AQUEOUS-SOLUTION- BRONSTED LINEAR FREE-ENERGY RELATIONSHIPS DO NOT HAVE AN UNIQUE MECHANISTIC INTERPRETATION, Journal of the American Chemical Society, 120(44), 1998, pp. 11524-11525
Authors:
GLENNON TM
WARSHEL A
Citation: Tm. Glennon et A. Warshel, ENERGETICS OF THE CATALYTIC REACTION OF RIBONUCLEASE-A - A COMPUTATIONAL STUDY OF ALTERNATIVE MECHANISMS, Journal of the American Chemical Society, 120(39), 1998, pp. 10234-10247
Authors:
FLORIAN J
STRAJBL M
WARSHEL A
Citation: J. Florian et al., CONFORMATIONAL FLEXIBILITY OF PHOSPHATE, PHOSPHONATE, AND PHOSPHOROTHIOATE METHYL-ESTERS IN AQUEOUS-SOLUTION, Journal of the American Chemical Society, 120(31), 1998, pp. 7959-7966
Authors:
FUXREITER M
WARSHEL A
Citation: M. Fuxreiter et A. Warshel, ORIGIN OF THE CATALYTIC POWER OF ACETYLCHOLINESTERASE - COMPUTER-SIMULATION STUDIES, Journal of the American Chemical Society, 120(1), 1998, pp. 183-194
Authors:
PAPAZYAN A
WARSHEL A
Citation: A. Papazyan et A. Warshel, CONTINUUM AND DIPOLE-LATTICE MODELS OF SOLVATION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(51), 1997, pp. 11254-11264
Authors:
MUEGGE I
QI PX
WAND AJ
CHU ZT
WARSHEL A
Citation: I. Muegge et al., THE REORGANIZATION ENERGY OF CYTOCHROME-C REVISITED, JOURNAL OF PHYSICAL CHEMISTRY B, 101(5), 1997, pp. 825-836
Authors:
FLORIAN J
WARSHEL A
Citation: J. Florian et A. Warshel, LANGEVIN DIPOLES MODEL FOR AB-INITIO CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTION - PARAMETRIZATION AND APPLICATION TO HYDRATION FREE-ENERGIES OF NEUTRAL AND IONIC SOLUTES AND CONFORMATIONAL-ANALYSIS IN AQUEOUS-SOLUTION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(28), 1997, pp. 5583-5595
Authors:
SHAM YY
CHU ZT
WARSHEL A
Citation: Yy. Sham et al., CONSISTENT CALCULATIONS OF PK(A)S OF IONIZABLE RESIDUES IN PROTEINS -SEMIMICROSCOPIC AND MICROSCOPIC APPROACHES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(22), 1997, pp. 4458-4472
Authors:
WARSHEL A
PAPAZYAN A
MUEGGE I
Citation: A. Warshel et al., MICROSCOPIC AND SEMIMACROSCOPIC REDOX CALCULATIONS - WHAT CAN AND CANNOT BE LEARNED FROM CONTINUUM MODELS, JBIC. Journal of biological inorganic chemistry, 2(1), 1997, pp. 143-152
A FAST ESTIMATE OF ELECTROSTATIC GROUP CONTRIBUTIONS TO THE FREE-ENERGY OF PROTEIN-INHIBITOR BINDING
Authors:
MUEGGE I
TAO H
WARSHEL A
Citation: I. Muegge et al., A FAST ESTIMATE OF ELECTROSTATIC GROUP CONTRIBUTIONS TO THE FREE-ENERGY OF PROTEIN-INHIBITOR BINDING, Protein engineering, 10(12), 1997, pp. 1363-1372
Authors:
PAPAZYAN A
WARSHEL A
Citation: A. Papazyan et A. Warshel, A STRINGENT TEST OF THE CAVITY CONCEPT IN CONTINUUM DIELECTRICS, The Journal of chemical physics, 107(19), 1997, pp. 7975-7978
Authors:
HWANG JK
WARSHEL A
Citation: Jk. Hwang et A. Warshel, ON THE RELATIONSHIP BETWEEN THE DISPERSED POLARON AND SPIN-BOSON MODELS, Chemical physics letters, 271(4-6), 1997, pp. 223-225
Authors:
WARSHEL A
CHU ZT
PARSON WW
Citation: A. Warshel et al., 2-DIMENSIONAL FREE-ENERGY SURFACES FOR PRIMARY ELECTRON-TRANSFER IN APHOTOSYNTHETIC REACTION-CENTER, Chemical physics letters, 265(1-2), 1997, pp. 293-296