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La ricerca find articoli where authors phrase all words ' ORNSTEIN RL' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 54 riferimenti
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    1. Zhan, CG; Niu, SQ; Ornstein, RL
      Theoretical studies of nonenzymatic reaction pathways for the three reaction stages of the carboxylation of ribulose-1,5-bisphosphate

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    2. Koca, J; Zhan, CG; Rittenhouse, RC; Ornstein, RL
      Mobility of the active site bound paraoxon and sarin in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    3. Zhan, CG; Landry, DW; Ornstein, RL
      Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations

      JOURNAL OF PHYSICAL CHEMISTRY A
    4. Zhan, CG; Landry, DW; Ornstein, RL
      Theoretical studies of fundamental pathways for alkaline hydrolysis of carboxylic acid esters in gas phase

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    5. Zhan, CG; Landry, DW; Ornstein, RL
      Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    6. de Souza, ON; Ornstein, RL
      Molecular dynamics simulations of a protein-protein dimer: Particle-mesh Ewald electrostatic model yields far superior results to standard cutoff model

      JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
    7. Zhan, CG; de Souza, ON; Rittenhouse, R; Ornstein, RL
      Determination of two structural forms of catalytic bridging ligand in zinc-phosphotriesterase by molecular dynamics simulation and quantum chemical calculation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    8. ZHENG YJ; ORNSTEIN RL
      THEORETICAL-STUDY OF A NUCLEOPHILIC-ADDITION REACTION IN THE GAS-PHASE AND IN AQUEOUS-SOLUTION - PEPTIDE-BOND HYDROLYSIS

      Journal of molecular structure. Theochem
    9. DESOUZA ON; ORNSTEIN RL
      INHERENT DNA CURVATURE AND FLEXIBILITY CORRELATE WITH TATA BOX FUNCTIONALITY

      Biopolymers
    10. OJHA RP; DHINGRA MM; SARMA MH; MYER YP; SETLIK RF; SHIBATA M; KAZIM AL; ORNSTEIN RL; REIN R; TURNER CJ; SARMA RH
      STRUCTURE OF AN ANTI-HIV-1 HAMMERHEAD RIBOZYME COMPLEX WITH A 17-MER DNA SUBSTRATE-ANALOG OF HIV-1 GAG RNA AND A MECHANISM FOR THE CLEAVAGEREACTION - 750 MHZ NMR AND COMPUTER EXPERIMENTS

      Journal of biomolecular structure & dynamics
    11. ORNSTEIN RL; ZHENG YJ
      AB-INITIO QUANTUM-MECHANICS ANALYSIS OF IMIDAZOLE C-H-CENTER-DOT-CENTER-DOT-CENTER-DOT-O WATER HYDROGEN-BONDING AND A MOLECULAR MECHANICS FORCEFIELD CORRECTION

      Journal of biomolecular structure & dynamics
    12. DESOUZA ON; ORNSTEIN RL
      EFFECT OF WARMUP PROTOCOL AND SAMPLING TIME ON CONVERGENCE OF MOLECULAR-DYNAMICS SIMULATIONS OF A DNA DODECAMER USING AMBER-4.1 AND PARTICLE-MESH EWALD METHOD

      Journal of biomolecular structure & dynamics
    13. ZHENG YJ; ORNSTEIN RL; LEARY JA
      A DENSITY-FUNCTIONAL THEORY INVESTIGATION OF METAL-ION BINDING-SITES IN MONOSACCHARIDES

      Journal of molecular structure. Theochem
    14. LONG XP; NICHOLAS JB; GUEST MF; ORNSTEIN RL
      A COMBINED DENSITY-FUNCTIONAL THEORY MOLECULAR MECHANICS FORMALISM AND ITS APPLICATION TO SMALL WATER CLUSTERS

      Journal of molecular structure
    15. ARNOLD GE; ORNSTEIN RL
      PROTEIN HINGE BENDING AS SEEN IN MOLECULAR-DYNAMICS SIMULATIONS OF NATIVE AND M6I MUTANT T4 LYSOZYMES

      Biopolymers
    16. ARNOLD GE; ORNSTEIN RL
      MOLECULAR-DYNAMICS STUDY OF TIME-CORRELATED PROTEIN DOMAIN MOTIONS AND MOLECULAR FLEXIBILITY - CYTOCHROME P450BM-3

      Biophysical journal
    17. DESOUZA ON; ORNSTEIN RL
      EFFECT OF PERIODIC BOX SIZE ON AQUEOUS MOLECULAR-DYNAMICS SIMULATION OF A DNA DODECAMER WITH PARTICLE-MESH EWALD-METHOD

      Biophysical journal
    18. ZHENG YJ; ORNSTEIN RL
      ROLE OF ACTIVE-SITE TYROSINE IN GLUTATHIONE-S-TRANSFERASE - INSIGHTS FROM A THEORETICAL-STUDY ON MODEL SYSTEMS

      Journal of the American Chemical Society
    19. ZHENG YJ; ORNSTEIN RL
      MECHANISM OF NUCLEOPHILIC AROMATIC-SUBSTITUTION OF 1-CHLORO-2,4-DINITROBENZENE BY GLUTATHIONE IN THE GAS-PHASE AND IN SOLUTION - IMPLICATIONS FOR THE MODE OF ACTION OF GLUTATHIONE S-TRANSFERASES

      Journal of the American Chemical Society
    20. ZHENG YJ; ORNSTEIN RL
      CATALYTIC ROLE OF THE ALPHA-CARBOXYLATE OF THE GLU RESIDUE OF GLUTATHIONE IN GLUTATHIONE S-TRANSFERASES

      Journal of biomolecular structure & dynamics
    21. MIASKIEWICZ K; ORNSTEIN RL
      DNA-BINDING BY TATA-BOX BINDING-PROTEIN (TBP) - A MOLECULAR-DYNAMICS COMPUTATIONAL STUDY

      Journal of biomolecular structure & dynamics
    22. MARCUS E; KELLER DA; SHIBATA M; ORNSTEIN RL; REIN R
      COMPARING THEORETICAL AND EXPERIMENTAL BACKBONE-DEPENDENT SIDE-CHAIN CONFORMATIONAL PREFERENCES FOR LINEAR, BRANCHED, AROMATIC AND POLAR RESIDUES

      Chemical physics
    23. MANCHESTER JI; PAULSEN MD; REIN R; ORNSTEIN RL
      1,1,1-TRICHLOROETHANE-BOUND CYTOCHROME P450CAM DYNAMICS - DOES ACTIVE-SITE WATER MAKE A DIFFERENCE

      Chemical physics
    24. MANCHESTER JI; ORNSTEIN RL
      RATIONAL APPROACH TO IMPROVING REDUCTIVE CATALYSIS BY CYTOCHROME P450CAM

      Biochimie
    25. ZHENG YJ; ORNSTEIN RL
      AN EXPLANATION OF THE SINGLE-TURNOVER EXPERIMENT OF 4-CHLOROBENZOYL COA DEHALOGENASE

      Protein engineering
    26. PAULSEN MD; ORNSTEIN RL
      BINDING FREE-ENERGY CALCULATIONS FOR P450CAM-SUBSTRATE COMPLEXES

      Protein engineering
    27. ZHENG YJ; ORNSTEIN RL
      A MOLECULAR-DYNAMICS STUDY OF THE EFFECT OF CARBON-TETRACHLORIDE ON ENZYME STRUCTURE AND DYNAMICS - SUBTILISIN

      Protein engineering
    28. ZHENG YJ; ORNSTEIN RL
      MOLECULAR-DYNAMICS OF SUBTILISIN CARLSBERG IN AQUEOUS AND NONAQUEOUS SOLUTIONS

      Biopolymers
    29. ZHENG YJ; ORNSTEIN RL
      WHAT HAPPENS TO SALT-BRIDGES IN NONAQUEOUS ENVIRONMENTS - INSIGHTS FROM QUANTUM-MECHANICS CALCULATIONS

      Journal of the American Chemical Society
    30. ZHENG YJ; ORNSTEIN RL
      A THEORETICAL-STUDY OF THE STRUCTURES OF FLAVIN IN DIFFERENT OXIDATION AND PROTONATION STATES

      Journal of the American Chemical Society
    31. ZHENG YJ; ORNSTEIN RL
      A MOLECULAR-DYNAMICS AND QUANTUM-MECHANICS ANALYSIS OF THE EFFECT OF DMSO ON ENZYME STRUCTURE AND DYNAMICS - SUBTILISIN

      Journal of the American Chemical Society
    32. NGUYEN TB; ORNSTEIN RL
      MOLECULAR-DYNAMICS OF PROTEINS WITH AMBER FORCE-FIELDS SIMULATIONS OFCYTOCHROME P450-BM3 IN WATER

      The FASEB journal
    33. PAULSEN MD; ORNSTEIN RL
      DRAMATIC DIFFERENCES IN THE MOTIONS OF THE MOUTH OF OPEN AND CLOSED CYTOCHROME P450BM-3 BY MOLECULAR-DYNAMICS SIMULATIONS

      Proteins
    34. MANCHESTER JI; ORNSTEIN RL
      MOLECULAR-DYNAMICS SIMULATIONS INDICATE THAT F87W,T185F-CYTOCHROME P450CAM MAY REDUCTIVELY DEHALOGENATE 1,1,1-TRICHLOROETHANE

      Journal of biomolecular structure & dynamics
    35. SETLIK RF; SHIBATA M; SARMA RH; SARMA MH; KAZIM AL; ORNSTEIN RL; TOMASI TB; REIN R
      MODELING OF A POSSIBLE CONFORMATIONAL CHANGE ASSOCIATED WITH THE CATALYTIC MECHANISM IN THE HAMMERHEAD RIBOZYME

      Journal of biomolecular structure & dynamics
    36. ORNSTEIN RL
      RATIONAL ENZYME REDESIGN FOR IMPROVING BIODEHALOGENATION

      Journal of cellular biochemistry
    37. ARNOLD GE; ORNSTEIN RL
      MOLECULAR-DYNAMICS STUDY OF HALOALKANE DEHALOGENASE AND IMPLICATIONS FOR ITS RATIONAL REDESIGN

      Journal of cellular biochemistry
    38. LANGE CC; WACKETT LP; ORNSTEIN RL
      ENGINEERING MICROORGANISMS TO GROW ON HALOGENATED ALIPHATICS - A MODEL SYSTEM

      Journal of cellular biochemistry
    39. KELLER DA; SHIBATA M; MARCUS E; ORNSTEIN RL; REIN R
      FINDING THE GLOBAL MINIMUM - A FUZZY END ELIMINATION IMPLEMENTATION

      Protein engineering
    40. MANCHESTER JI; ORNSTEIN RL
      ENZYME-CATALYZED DEHALOGENATION OF PENTACHLOROETHANE - WHY F87W-CYTOCHROME P450CAM IS FASTER THAN WILD-TYPE

      Protein engineering
    41. LOIDA PJ; SLIGAR SG; PAULSEN MD; ARNOLD GE; ORNSTEIN RL
      STEREOSELECTIVE HYDROXYLATION OF NORCAMPHOR BY CYTOCHROME P450(CAM) -EXPERIMENTAL-VERIFICATION OF MOLECULAR-DYNAMICS SIMULATIONS

      The Journal of biological chemistry
    42. SARMA RH; SARMA MH; REIN R; SHIBATA M; SETLIK RS; ORNSTEIN RL; KAZIM AL; CAIRO A; TOMASI TB
      SECONDARY STRUCTURE IN SOLUTION OF 2 ANTI-HIV-1 HAMMERHEAD RIBOZYMES AS INVESTIGATED BY 2-DIMENSIONAL H-1 500-MHZ NMR-SPECTROSCOPY IN WATER

      FEBS letters
    43. BRAATZ JA; BASS MB; ORNSTEIN RL
      AN EVALUATION OF MOLECULAR-MODELS OF THE CYTOCHROME-P450 STREPTOMYCES-GRISEOLUS ENZYMES P450SU1 AND P450SU2

      Journal of computer-aided molecular design
    44. PAULSEN MD; ORNSTEIN RL
      ACTIVE-SITE MOBILITY INHIBITS REDUCTIVE DEHALOGENATION OF 1,1,1-TRICHLOROETHANE BY CYTOCHROME P450CAM

      Journal of computer-aided molecular design
    45. SZKLARZ GD; ORNSTEIN RL; HALPERT JR
      MOLECULAR MODELING OF CYTOCHROME-P450-2B1 AS A TOOL FOR UNDERSTANDINGSTRUCTURE-FUNCTION-RELATIONSHIPS

      The FASEB journal
    46. ARNOLD GE; ORNSTEIN RL
      AN EVALUATION OF IMPLICIT AND EXPLICIT SOLVENT MODEL SYSTEMS FOR THE MOLECULAR-DYNAMICS SIMULATION OF BACTERIOPHAGE-T4 LYSOZYME

      Proteins
    47. ARNOLD GE; MANCHESTER JI; TOWNSEND BD; ORNSTEIN RL
      INVESTIGATION OF DOMAIN MOTIONS IN BACTERIOPHAGE-T4 LYSOZYME

      Journal of biomolecular structure & dynamics
    48. SETLIK RF; MEYER DJ; SHIBATA M; ROSKWITALSKI R; ORNSTEIN RL; REIN R
      A FULL-COORDINATE MODEL OF THE POLYMERASE DOMAIN OF HIV-I REVERSE-TRANSCRIPTASE AND ITS INTERACTION WITH A NUCLEIC-ACID SUBSTRATE

      Journal of biomolecular structure & dynamics
    49. SZKLARZ GD; ORNSTEIN RL; HALPERT JR
      APPLICATION OF 3-DIMENSIONAL HOMOLOGY MODELING OF CYTOCHROME-P450 2B1FOR INTERPRETATION OF SITE-DIRECTED MUTAGENESIS RESULTS

      Journal of biomolecular structure & dynamics
    50. ARNOLD GE; PAULSEN MD; ORNSTEIN RL
      HYDROXYLATION PROFILE OF RACEMIC NORCAMPHOR BY CYTOCHROME P450CAM - AMOLECULAR-DYNAMICS SIMULATION PREDICTION OF REGIO PRODUCT SPECIFICITY

      Biophysical journal
    51. SETLIK RF; GARDUNOJUAREZ R; MANCHESTER JI; SHIBATA M; ORNSTEIN RL; REIN R
      MODELING STUDY ON THE CLEAVAGE STEP OF THE SELF-SPLICING REACTION IN GROUP-I INTRONS

      Journal of biomolecular structure & dynamics
    52. PAULSEN MD; ORNSTEIN RL
      SUBSTRATE MOBILITY IN THIOCAMPHOR-BOUND CYTOCHROME-P450(CAM) - AN EXPLANATION OF THE CONFLICT BETWEEN THE OBSERVED PRODUCT PROFILE AND THE X-RAY STRUCTURE

      Protein engineering
    53. MANCHESTER JI; SHIBATA M; SETLIK RF; ORNSTEIN RL; REIN R
      APPLICABILITY OF PM3 TO TRANSPHOSPHORYLATION REACTION-PATH - TOWARD DESIGNING A MINIMAL RIBOZYME

      Origins of life and evolution of the biosphere
    54. POLTEV VI; BRUSKOV VI; SHULYUPINA NV; REIN R; SHIBATA M; ORNSTEIN RL; MILLER J
      GENOTOXIC MODIFICATION OF NUCLEIC-ACID BASES AND ITS BIOLOGICAL CONSEQUENCES - REVIEW AND PROSPECTS OF EXPERIMENTAL AND COMPUTATIONAL INVESTIGATIONS

      Molecular biology


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 06/08/20 alle ore 04:04:54