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Results: 1-25 | 26-36
Results: 1-25/36
PROTEINS IN-VACUO - DENATURATION OF HIGHLY-CHARGED LYSOZYME STUDIED BY MOLECULAR-DYNAMICS SIMULATIONS
Authors: REIMANN CT VELAZQUEZ I TAPIA O
Citation: Ct. Reimann et al., PROTEINS IN-VACUO - DENATURATION OF HIGHLY-CHARGED LYSOZYME STUDIED BY MOLECULAR-DYNAMICS SIMULATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(46), 1998, pp. 9344-9352
PROTEINS IN-VACUO - DENATURING OF DISULFIDE-INTACT AND DISULFIDE-BROKEN LYSOZYME PROBED BY MOLECULAR-DYNAMICS SIMULATIONS
Authors: REIMANN CT VELAZQUEZ I TAPIA O
Citation: Ct. Reimann et al., PROTEINS IN-VACUO - DENATURING OF DISULFIDE-INTACT AND DISULFIDE-BROKEN LYSOZYME PROBED BY MOLECULAR-DYNAMICS SIMULATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2277-2283
MOLECULAR-DYNAMICS SIMULATION OF A ZIF268-DNA COMPLEX IN WATER - SPATIAL PATTERNS AND FLUCTUATIONS SENSED FROM A NANOSECOND TRAJECTORY
Authors: ROXSTROM G VELAZQUEZ I PAULINO M TAPIA O
Citation: G. Roxstrom et al., MOLECULAR-DYNAMICS SIMULATION OF A ZIF268-DNA COMPLEX IN WATER - SPATIAL PATTERNS AND FLUCTUATIONS SENSED FROM A NANOSECOND TRAJECTORY, JOURNAL OF PHYSICAL CHEMISTRY B, 102(10), 1998, pp. 1828-1832
THEORY OF NONLOCAL (PAIR SITE) REACTIVITY FROM MODEL STATIC-DENSITY RESPONSE FUNCTIONS
Authors: CONTRERAS R ANDRES J PEREZ P AIZMAN A TAPIA O
Citation: R. Contreras et al., THEORY OF NONLOCAL (PAIR SITE) REACTIVITY FROM MODEL STATIC-DENSITY RESPONSE FUNCTIONS, Theoretical chemistry accounts, 99(3), 1998, pp. 183-191
HYDROGEN-BONDING AND DISSOCIATION EFFECTS ON THE GAS-PHASE PROTON-TRANSFER REACTIONS OF OZONE
Authors: CONTRERAS R SAFONT VS ANDRES J PEREZ P AIZMAN A TAPIA O
Citation: R. Contreras et al., HYDROGEN-BONDING AND DISSOCIATION EFFECTS ON THE GAS-PHASE PROTON-TRANSFER REACTIONS OF OZONE, Theoretical chemistry accounts, 99(1), 1998, pp. 60-63
MODELING A 3D STRUCTURE FOR EGDF1 FROM ECHINOCOCCUS-GRANULOSUS - PUTATIVE EPITOPES, PHOSPHORYLATION MOTIFS AND LIGAND
Authors: PAULINO M ESTEVES A VEGA M TABARES G ERLICH R TAPIA O
Citation: M. Paulino et al., MODELING A 3D STRUCTURE FOR EGDF1 FROM ECHINOCOCCUS-GRANULOSUS - PUTATIVE EPITOPES, PHOSPHORYLATION MOTIFS AND LIGAND, Journal of computer-aided molecular design, 12(4), 1998, pp. 351-360
DNA-STRUCTURE AND FLUCTUATIONS SENSED FROM A 1.1NS MOLECULAR-DYNAMICSTRAJECTORY OF A FULLY CHARGED ZIF268-DNA COMPLEX IN WATER
Authors: ROXSTROM G VELAZQUEZ I PAULINO M TAPIA O
Citation: G. Roxstrom et al., DNA-STRUCTURE AND FLUCTUATIONS SENSED FROM A 1.1NS MOLECULAR-DYNAMICSTRAJECTORY OF A FULLY CHARGED ZIF268-DNA COMPLEX IN WATER, Journal of biomolecular structure & dynamics, 16(2), 1998, pp. 301-312
REPRODUCTIVE-BEHAVIOR OF ARTEMIA-FRANCISCANA (KELLOGG, 1906) FROM SAN-QUINTIN, BAJA-CALIFORNIA, MEXICO
Authors: CORREA F TAPIA O
Citation: F. Correa et O. Tapia, REPRODUCTIVE-BEHAVIOR OF ARTEMIA-FRANCISCANA (KELLOGG, 1906) FROM SAN-QUINTIN, BAJA-CALIFORNIA, MEXICO, Ciencias marinas, 24(3), 1998, pp. 295-301
QUANTUM-MECHANICS AND THE THEORY OF HYDROGEN-BOND AND PROTON-TRANSFER- BEYOND A BORN-OPPENHEIMER DESCRIPTION OF CHEMICAL INTERCONVERSIONS
Authors: TAPIA O
Citation: O. Tapia, QUANTUM-MECHANICS AND THE THEORY OF HYDROGEN-BOND AND PROTON-TRANSFER- BEYOND A BORN-OPPENHEIMER DESCRIPTION OF CHEMICAL INTERCONVERSIONS, Journal of molecular structure. Theochem, 433, 1998, pp. 95-105
A DENSITY-FUNCTIONAL THEORY ANALYSIS OF THE GAS AND SOLUTION-PHASE ISOMERIZATION-REACTIONS OF MCN, (M = H, LI, NA) SYSTEMS
Authors: CONTRERAS R SAFONT VS PEREZ P ANDRES J MOLINER V TAPIA O
Citation: R. Contreras et al., A DENSITY-FUNCTIONAL THEORY ANALYSIS OF THE GAS AND SOLUTION-PHASE ISOMERIZATION-REACTIONS OF MCN, (M = H, LI, NA) SYSTEMS, Journal of molecular structure. Theochem, 426, 1998, pp. 277-288
A PRELIMINARY-STUDY OF THE PHARMACOKINETICS OF FENOPROFEN ENANTIOMERSFOLLOWING INTRAVENOUS ADMINISTRATION OF THE RACEMATE TO CATS
Authors: CASTRO EF SORACI AL TAPIA O FOGEL F
Citation: Ef. Castro et al., A PRELIMINARY-STUDY OF THE PHARMACOKINETICS OF FENOPROFEN ENANTIOMERSFOLLOWING INTRAVENOUS ADMINISTRATION OF THE RACEMATE TO CATS, Veterinary research communications, 22(3), 1998, pp. 203-208
MOLECULAR MECHANISM FOR OXYGENATION PATHWAY IN RUBISCO - MAPPING TRANSITION STRUCTURES AND INTERMEDIATES FOR MODEL COMPOUNDS OF THE SUBSTRATE SYSTEM
Authors: OLIVA M SAFONT VS ANDRES J TAPIA O
Citation: M. Oliva et al., MOLECULAR MECHANISM FOR OXYGENATION PATHWAY IN RUBISCO - MAPPING TRANSITION STRUCTURES AND INTERMEDIATES FOR MODEL COMPOUNDS OF THE SUBSTRATE SYSTEM, Chemical physics letters, 294(1-3), 1998, pp. 87-94
CONFORMATION OF HIGHLY-CHARGED GAS-PHASE LYSOZYME REVEALED BY ENERGETIC SURFACE IMPRINTING
Authors: REIMANN CT SULLIVAN PA AXELSSON J QUIST AP ALTMANN S ROEPSTORFF P VELAZQUEZ I TAPIA O
Citation: Ct. Reimann et al., CONFORMATION OF HIGHLY-CHARGED GAS-PHASE LYSOZYME REVEALED BY ENERGETIC SURFACE IMPRINTING, Journal of the American Chemical Society, 120(30), 1998, pp. 7608-7616
MOLECULAR-DYNAMICS SIMULATION OF THE FREE-SURFACE OF LIQUID FORMAMIDE
Authors: OBERBRODHAGE J MORGNER H TAPIA O SIEGBAHN HOG
Citation: J. Oberbrodhage et al., MOLECULAR-DYNAMICS SIMULATION OF THE FREE-SURFACE OF LIQUID FORMAMIDE, International journal of quantum chemistry, 63(6), 1997, pp. 1123-1131
A QUANTUM ELECTRONIC THEORY OF CHEMICAL PROCESSES - THE INVERTED ENERGY PROFILE CASE - CH3-2 REACTION(+H)
Authors: TAPIA O MOLINER V ANDRES J
Citation: O. Tapia et al., A QUANTUM ELECTRONIC THEORY OF CHEMICAL PROCESSES - THE INVERTED ENERGY PROFILE CASE - CH3-2 REACTION(+H), International journal of quantum chemistry, 63(2), 1997, pp. 373-391
TRANSITION STRUCTURES OF CARBON-DIOXIDE FIXATION, HYDRATION AND C2 INVERSION FOR A MODEL OF RUBISCO CATALYZED REACTION
Authors: SAFONT VS OLIVA M ANDRES J TAPIA O
Citation: Vs. Safont et al., TRANSITION STRUCTURES OF CARBON-DIOXIDE FIXATION, HYDRATION AND C2 INVERSION FOR A MODEL OF RUBISCO CATALYZED REACTION, Chemical physics letters, 278(4-6), 1997, pp. 291-296
RELATIONSHIP BETWEEN THE ELECTRONIC CHEMICAL-POTENTIAL AND PROTON-TRANSFER BARRIERS
Authors: PEREZ P CONTRERAS R VELA A TAPIA O
Citation: P. Perez et al., RELATIONSHIP BETWEEN THE ELECTRONIC CHEMICAL-POTENTIAL AND PROTON-TRANSFER BARRIERS, Chemical physics letters, 269(5-6), 1997, pp. 419-427
MOLECULAR-DYNAMICS SIMULATIONS OF DNA WITH PROTEINS CONSISTENT GROMOSFORCE-FIELD AND THE ROLE OF COUNTERIONS SYMMETRY
Authors: TAPIA O VELAZQUEZ I
Citation: O. Tapia et I. Velazquez, MOLECULAR-DYNAMICS SIMULATIONS OF DNA WITH PROTEINS CONSISTENT GROMOSFORCE-FIELD AND THE ROLE OF COUNTERIONS SYMMETRY, Journal of the American Chemical Society, 119(25), 1997, pp. 5934-5938
ON THE SENSITIVITY OF MD TRAJECTORIES TO CHANGES IN WATER-PROTEIN INTERACTION PARAMETERS - THE POTATO CARBOXYPEPTIDASE INHIBITOR IN WATER AS A TEST-CASE FOR THE GROMOS FORCE-FIELD
Authors: DAURA X OLIVA B QUEROL E AVILES FX TAPIA O
Citation: X. Daura et al., ON THE SENSITIVITY OF MD TRAJECTORIES TO CHANGES IN WATER-PROTEIN INTERACTION PARAMETERS - THE POTATO CARBOXYPEPTIDASE INHIBITOR IN WATER AS A TEST-CASE FOR THE GROMOS FORCE-FIELD, Proteins, 25(1), 1996, pp. 89-103
TRANSITION STRUCTURE AND REACTIVE COMPLEXES FOR HYDRIDE TRANSFER IN AN ISOALLOXAZINE-NICOTINAMIDE COMPLEX - ON THE CATALYTIC MECHANISM OF GLUTATHIONE-REDUCTASE - AN AB-INITIO MO SCF STUDY
Authors: DIAZ W AULLO JM PAULINO M TAPIA O
Citation: W. Diaz et al., TRANSITION STRUCTURE AND REACTIVE COMPLEXES FOR HYDRIDE TRANSFER IN AN ISOALLOXAZINE-NICOTINAMIDE COMPLEX - ON THE CATALYTIC MECHANISM OF GLUTATHIONE-REDUCTASE - AN AB-INITIO MO SCF STUDY, Chemical physics, 204(2-3), 1996, pp. 195-203
TRANSITION STRUCTURES FOR HYDRIDE TRANSFER-REACTIONS IN-VACUO AND THEIR ROLE IN ENZYME CATALYSIS
Authors: ANDRES J MOLINER V SAFONT VS AULLO JM DIAZ W TAPIA O
Citation: J. Andres et al., TRANSITION STRUCTURES FOR HYDRIDE TRANSFER-REACTIONS IN-VACUO AND THEIR ROLE IN ENZYME CATALYSIS, Journal of molecular structure. Theochem, 371, 1996, pp. 299-312
INACTIVATION OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE DURING CATALYSIS - A THEORETICAL-STUDY OF RELATED TRANSITION STRUCTURES/
Authors: TAPIA O ANDRES J SAFONT VS
Citation: O. Tapia et al., INACTIVATION OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE DURING CATALYSIS - A THEORETICAL-STUDY OF RELATED TRANSITION STRUCTURES/, Journal of physical chemistry, 100(20), 1996, pp. 8543-8550
ON A POSSIBLE INVARIANCE OF A TRANSITION STRUCTURE TO THE EFFECTS PRODUCED BY ANCILLARY H-BONDING MOLECULES - MODELING THE EFFECTS OF SER-48 IN THE HYDRIDE-TRANSFER STEP OF LIVER ALCOHOL-DEHYDROGENASE
Authors: CARDENAS R ANDRES J KRECHI J CAMPILLO M TAPIA O
Citation: R. Cardenas et al., ON A POSSIBLE INVARIANCE OF A TRANSITION STRUCTURE TO THE EFFECTS PRODUCED BY ANCILLARY H-BONDING MOLECULES - MODELING THE EFFECTS OF SER-48 IN THE HYDRIDE-TRANSFER STEP OF LIVER ALCOHOL-DEHYDROGENASE, International journal of quantum chemistry, 57(2), 1996, pp. 245-257
PERTURBATION-RELAXATION MOLECULAR-DYNAMICS SIMULATIONS AS A TOOL TO EXPLORE CONFORMATIONAL SPACE - REVERSIBLE RESPONSE OF THE L3 LOOP IN PORIN TOWARDS CHARGE SCREENING EFFECTS
Authors: SOARES CM BJORKSTEN J TAPIA O
Citation: Cm. Soares et al., PERTURBATION-RELAXATION MOLECULAR-DYNAMICS SIMULATIONS AS A TOOL TO EXPLORE CONFORMATIONAL SPACE - REVERSIBLE RESPONSE OF THE L3 LOOP IN PORIN TOWARDS CHARGE SCREENING EFFECTS, Molecular simulation, 15(1), 1995, pp. 35-46
L3 LOOP-MEDIATED MECHANISMS OF PORE CLOSING IN PORIN - A MOLECULAR-DYNAMICS PERTURBATION APPROACH
Authors: SOARES CM BJORKSTEN J TAPIA O
Citation: Cm. Soares et al., L3 LOOP-MEDIATED MECHANISMS OF PORE CLOSING IN PORIN - A MOLECULAR-DYNAMICS PERTURBATION APPROACH, Protein engineering, 8(1), 1995, pp. 5-12
Risultati: 1-25 | 26-36