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Results: 1-19 |
Results: 19
FUNCTIONAL CONFORMATIONAL-CHANGES OF ENDO-1,4-XYLANASE-II FROM TRICHODERMA-REESEI - A MOLECULAR-DYNAMICS STUDY
Authors: MUILU J TORRONEN A PERAKYLA M ROUVINEN J
Citation: J. Muilu et al., FUNCTIONAL CONFORMATIONAL-CHANGES OF ENDO-1,4-XYLANASE-II FROM TRICHODERMA-REESEI - A MOLECULAR-DYNAMICS STUDY, Proteins, 31(4), 1998, pp. 434-444
AB-INITIO QUANTUM-MECHANICAL AND DENSITY-FUNCTIONAL THEORY CALCULATIONS ON NUCLEOPHILE-CATALYZED AND NUCLEOPHILE AND ACID-CATALYZED OPENINGOF AN EPOXIDE RING - A MODEL FOR THE COVALENT BINDING OF EPOXYALKYL INHIBITORS TO THE ACTIVE-SITE OF GLYCOSIDASES
Authors: LAITINEN T ROUVINEN J PERAKYLA M
Citation: T. Laitinen et al., AB-INITIO QUANTUM-MECHANICAL AND DENSITY-FUNCTIONAL THEORY CALCULATIONS ON NUCLEOPHILE-CATALYZED AND NUCLEOPHILE AND ACID-CATALYZED OPENINGOF AN EPOXIDE RING - A MODEL FOR THE COVALENT BINDING OF EPOXYALKYL INHIBITORS TO THE ACTIVE-SITE OF GLYCOSIDASES, Journal of organic chemistry, 63(23), 1998, pp. 8157-8162
COMBINED AB-INITIO AND FREE-ENERGY CALCULATIONS TO STUDY REACTIONS INENZYMES AND SOLUTION - AMIDE HYDROLYSIS IN TRYPSIN AND AQUEOUS-SOLUTION
Authors: STANTON RV PERAKYLA M BAKOWIES D KOLLMAN PA
Citation: Rv. Stanton et al., COMBINED AB-INITIO AND FREE-ENERGY CALCULATIONS TO STUDY REACTIONS INENZYMES AND SOLUTION - AMIDE HYDROLYSIS IN TRYPSIN AND AQUEOUS-SOLUTION, Journal of the American Chemical Society, 120(14), 1998, pp. 3448-3457
AB-INITIO QUANTUM-MECHANICAL GAS-PHASE AND REACTION FIELD SOLVATION STUDY ON THE PROTON ABSTRACTION FROM HYDROXYACETALDEHYDE BY FORMATE - IMPLICATIONS FOR ENZYME CATALYSIS
Authors: PERAKYLA M
Citation: M. Perakyla, AB-INITIO QUANTUM-MECHANICAL GAS-PHASE AND REACTION FIELD SOLVATION STUDY ON THE PROTON ABSTRACTION FROM HYDROXYACETALDEHYDE BY FORMATE - IMPLICATIONS FOR ENZYME CATALYSIS, Perkin transactions. 2, (11), 1997, pp. 2185-2189
A SIMULATION OF THE CATALYTIC MECHANISM OF ASPARTYLGLUCOSAMINIDASE USING AB-INITIO QUANTUM-MECHANICS AND MOLECULAR-DYNAMICS
Authors: PERAKYLA M KOLLMAN PA
Citation: M. Perakyla et Pa. Kollman, A SIMULATION OF THE CATALYTIC MECHANISM OF ASPARTYLGLUCOSAMINIDASE USING AB-INITIO QUANTUM-MECHANICS AND MOLECULAR-DYNAMICS, Journal of the American Chemical Society, 119(6), 1997, pp. 1189-1196
TRIOSEPHOSPHATE ISOMERASE (TIM)-CATALYZED PROTON ABSTRACTION FROM CARBON ACID - AN ANALYSIS ON THE ORIGIN OF THE CATALYTIC ACTIVITY
Authors: PERAKYLA M
Citation: M. Perakyla, TRIOSEPHOSPHATE ISOMERASE (TIM)-CATALYZED PROTON ABSTRACTION FROM CARBON ACID - AN ANALYSIS ON THE ORIGIN OF THE CATALYTIC ACTIVITY, Chemical communications, (3), 1996, pp. 361-362
AB-INITIO QUANTUM-MECHANICAL MODEL-CALCULATIONS ON THE CATALYTIC MECHANISM OF ASPARTYLGLUCOSAMINIDASE (AGA) - A SERINE PROTEASE-LIKE MECHANISM WITH AN N-TERMINAL THREONINE AND SUBSTRATE-ASSISTED CATALYSIS
Authors: PERAKYLA M ROUVINEN J
Citation: M. Perakyla et J. Rouvinen, AB-INITIO QUANTUM-MECHANICAL MODEL-CALCULATIONS ON THE CATALYTIC MECHANISM OF ASPARTYLGLUCOSAMINIDASE (AGA) - A SERINE PROTEASE-LIKE MECHANISM WITH AN N-TERMINAL THREONINE AND SUBSTRATE-ASSISTED CATALYSIS, Chemistry, 2(12), 1996, pp. 1548-1551
AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .4. MODEL ASSEMBLY STUDY OF THE CATALYTIC MECHANISM OF TRIOSEPHOSPHATE ISOMERASE
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .4. MODEL ASSEMBLY STUDY OF THE CATALYTIC MECHANISM OF TRIOSEPHOSPHATE ISOMERASE, Proteins, 25(2), 1996, pp. 225-236
CONFORMATIONAL BEHAVIOR OF HYDROXAMIC ACIDS - AB-INITIO AND STRUCTURAL STUDIES
Authors: BROWN DA COOGAN RA FITZPATRICK NJ GLASS WK ABUKSHIMA DE SHIELS L AHLGREN M SMOLANDER K PAKKANEN TT PAKKANEN TA PERAKYLA M
Citation: Da. Brown et al., CONFORMATIONAL BEHAVIOR OF HYDROXAMIC ACIDS - AB-INITIO AND STRUCTURAL STUDIES, Perkin transactions. 2, (12), 1996, pp. 2673-2679
QUANTUM-MECHANICAL MODEL ASSEMBLY CALCULATIONS OF ENERGETICS OF BINDING OF LIGANDS TO PROTEIN RECEPTORS
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, QUANTUM-MECHANICAL MODEL ASSEMBLY CALCULATIONS OF ENERGETICS OF BINDING OF LIGANDS TO PROTEIN RECEPTORS, Biochemical Society transactions, 24(1), 1996, pp. 143-143
PROTON ABSTRACTION FROM CARBON ACIDS - AB-INITIO MOLECULAR-ORBITAL STUDY ON THE PROTON ABSTRACTION FROM ACETALDEHYDE BY NH2-, OH-, F-, SIH3-, PH2-, AND SH-
Authors: PERAKYLA M
Citation: M. Perakyla, PROTON ABSTRACTION FROM CARBON ACIDS - AB-INITIO MOLECULAR-ORBITAL STUDY ON THE PROTON ABSTRACTION FROM ACETALDEHYDE BY NH2-, OH-, F-, SIH3-, PH2-, AND SH-, Journal of physical chemistry, 100(9), 1996, pp. 3441-3447
AB-INITIO QUANTUM-MECHANICAL STUDY ON THE ORIGIN OF THE PK(A) DIFFERENCES OF THE PROTON SPONGES 1,8-BIS(DIMETHYLAMINO)NAPHTHALENE, 1,8-BIS(DIMETHYLAMINO)-2,7-DIMETHOXYNAPHTHALENE, 1,6-DIMETHYL-1,6-DIAZACYCLODECANE, AND 1,6-DIAZABICYCLO[4.4.4]TETRADECANE
Authors: PERAKYLA M
Citation: M. Perakyla, AB-INITIO QUANTUM-MECHANICAL STUDY ON THE ORIGIN OF THE PK(A) DIFFERENCES OF THE PROTON SPONGES 1,8-BIS(DIMETHYLAMINO)NAPHTHALENE, 1,8-BIS(DIMETHYLAMINO)-2,7-DIMETHOXYNAPHTHALENE, 1,6-DIMETHYL-1,6-DIAZACYCLODECANE, AND 1,6-DIAZABICYCLO[4.4.4]TETRADECANE, Journal of organic chemistry, 61(21), 1996, pp. 7420-7425
MODEL ASSEMBLY STUDY OF THE LIGAND-BINDING BY P-HYDROXYBENZOATE HYDROXYLASE - CORRELATION BETWEEN THE CALCULATED BINDING-ENERGIES AND THE EXPERIMENTAL DISSOCIATION-CONSTANTS
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, MODEL ASSEMBLY STUDY OF THE LIGAND-BINDING BY P-HYDROXYBENZOATE HYDROXYLASE - CORRELATION BETWEEN THE CALCULATED BINDING-ENERGIES AND THE EXPERIMENTAL DISSOCIATION-CONSTANTS, Proteins, 21(1), 1995, pp. 22-29
AB-INITIO MOLECULAR-ORBITAL STUDY ON REACTIVITY OF PHENOL, BIPHENYL, BENZOATE AND P-HYDROXYBENZOATE IN THE (OH)-O-. ADDITION-REACTION AND STABILITY OF THE CORRESPONDING H-. AND (OH)-O-. CYCLOHEXADIENYL ADDUCTS
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, AB-INITIO MOLECULAR-ORBITAL STUDY ON REACTIVITY OF PHENOL, BIPHENYL, BENZOATE AND P-HYDROXYBENZOATE IN THE (OH)-O-. ADDITION-REACTION AND STABILITY OF THE CORRESPONDING H-. AND (OH)-O-. CYCLOHEXADIENYL ADDUCTS, Perkin transactions. 2, (7), 1995, pp. 1405-1410
QUANTUM-MECHANICAL MODEL ASSEMBLY STUDY ON THE ENERGETICS OF BINDING OF ARABINOSE, FUCOSE, AND GALACTOSE TO L-ARABINOSE-BINDING PROTEIN
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, QUANTUM-MECHANICAL MODEL ASSEMBLY STUDY ON THE ENERGETICS OF BINDING OF ARABINOSE, FUCOSE, AND GALACTOSE TO L-ARABINOSE-BINDING PROTEIN, Proteins, 20(4), 1994, pp. 367-372
AB-INITIO STUDIES ON ORGANOPHOSPHORUS COMPOUNDS .2. MONOANIONIC METHYL METHYLPHOSPHONATE AND METHYL METHYLPHOSPHINATE AND THEIR SULFUR ANALOGS
Authors: RASANEN JP PERAKYLA M POHJALA E PAKKANEN TA
Citation: Jp. Rasanen et al., AB-INITIO STUDIES ON ORGANOPHOSPHORUS COMPOUNDS .2. MONOANIONIC METHYL METHYLPHOSPHONATE AND METHYL METHYLPHOSPHINATE AND THEIR SULFUR ANALOGS, Perkin transactions. 2, (5), 1994, pp. 1055-1060
AB-INITIO STUDIES ON TETRAMETHYLUREA AND TETRAMETHYLTHIOUREA
Authors: TOTH K BOPP P PERAKYLA M PAKKANEN TA JANCSO G
Citation: K. Toth et al., AB-INITIO STUDIES ON TETRAMETHYLUREA AND TETRAMETHYLTHIOUREA, Journal of molecular structure. Theochem, 118(1), 1994, pp. 93-100
AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .2. MODELS FOR ASPARTATE, GLUTAMATE AND LYSINE IONS
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .2. MODELS FOR ASPARTATE, GLUTAMATE AND LYSINE IONS, Journal of chemical research. Synopses, (8), 1993, pp. 296-297
AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .3. MODEL ASSEMBLY STUDY OF THE PROTON-TRANSFER IN THE HYDROXYLATION STEP OF THE CATALYTIC MECHANISM OF P-HYDROXYBENZOATE HYDROXYLASE
Authors: PERAKYLA M PAKKANEN TA
Citation: M. Perakyla et Ta. Pakkanen, AB-INITIO MODELS FOR RECEPTOR-LIGAND INTERACTIONS IN PROTEINS .3. MODEL ASSEMBLY STUDY OF THE PROTON-TRANSFER IN THE HYDROXYLATION STEP OF THE CATALYTIC MECHANISM OF P-HYDROXYBENZOATE HYDROXYLASE, Journal of the American Chemical Society, 115(23), 1993, pp. 10958-10963
Risultati: 1-19 |