Catalogo Articoli (Spogli Riviste)

HELP
ATTENZIONE: attualmente gli articoli Current Contents (fonte ISI) a partire dall'anno 2002 sono consultabili sulla Risorsa On-Line

Le informazioni sugli articoli di fonte ISI sono coperte da copyright

La ricerca find articoli where authors phrase all words ' Karplus, M' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 201 riferimenti
Si mostrano 100 riferimenti a partire da 1
Selezionare un intervallo

Per ulteriori informazioni selezionare i riferimenti di interesse.

    1. Lopez, X; York, DM; Dejaegere, A; Karplus, M
      Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    2. Buck, M; Karplus, M
      Hydrogen bond energetics: A simulation and statistical analysis of N-methyl acetamide (NMA), water, and human lysozyme

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Cui, Q; Elstner, M; Kaxiras, E; Frauenheim, T; Karplus, M
      A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method

      JOURNAL OF PHYSICAL CHEMISTRY B
    4. Dinner, AR; Karplus, M
      The roles of stability and contact order in determining protein folding rates

      NATURE STRUCTURAL BIOLOGY
    5. Dobson, CM; Weissmann, C; Pepys, MB; Karplus, M
      Prions and the lymphoreticular system - Discussion

      PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES B-BIOLOGICAL SCIENCES
    6. So, SS; Karplus, M
      Evaluation of designed ligands by a multiple screening method: Applicationto glycogen phosphorylase inhibitors constructed with a variety of approaches

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    7. Schaefer, M; Bartels, C; Leclerc, F; Karplus, M
      Effective atom volumes for implicit solvent models: Comparison between Voronoi volumes and minimum fluctuation volumes

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    8. Dinner, AR; Blackburn, GM; Karplus, M
      Uracil-DNA glycosylase acts by substrate autocatalysis

      NATURE
    9. Vendruscolo, M; Paci, E; Dobson, CM; Karplus, M
      Three key residues form a critical contact network in a protein folding transition state

      NATURE
    10. Guo, H; Cui, Q; Lipscomb, WN; Karplus, M
      Substrate conformational transitions in the active site of chorismate mutase: Their role in the catalytic mechanism

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    11. Paci, E; Caflisch, A; Pluckthun, A; Karplus, M
      Forces and energetics of hapten-antibody dissociation: A biased molecular dynamics simulation study

      JOURNAL OF MOLECULAR BIOLOGY
    12. Petrella, RJ; Karplus, M
      The energetics of off-rotamer protein side-chain conformations

      JOURNAL OF MOLECULAR BIOLOGY
    13. Archontis, G; Simonson, T; Karplus, M
      Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition byaspartyl-tRNA synthetase

      JOURNAL OF MOLECULAR BIOLOGY
    14. Paci, E; Smith, LJ; Dobson, CM; Karplus, M
      Exploration of partially unfolded states of human alpha-lactalbumin by molecular dynamics simulation

      JOURNAL OF MOLECULAR BIOLOGY
    15. Sliz, P; Michielin, O; Cerottini, JC; Luescher, I; Romero, P; Karplus, M; Wiley, DC
      Crystal structures of two closely related but antigenically distinct HLA-A2/Melanocyte-Melanoma tumor-antigen peptide complexes

      JOURNAL OF IMMUNOLOGY
    16. van Vlijmen, HWT; Karplus, M
      Normal mode analysis of large systems with icosahedral symmetry: Application to (Dialanine)(60) in full and reduced basis set implementations

      JOURNAL OF CHEMICAL PHYSICS
    17. Andricioaei, I; Karplus, M
      On the calculation of entropy from covariance matrices of the atomic fluctuations

      JOURNAL OF CHEMICAL PHYSICS
    18. Andricioaei, I; Straub, JE; Karplus, M
      Simulation of quantum systems using path integrals in a generalized ensemble

      CHEMICAL PHYSICS LETTERS
    19. Lopez, X; Dejaegere, A; Karplus, M
      Solvent effects on the reaction coordinate of the hydrolysis of phosphatesand sulfates: Application of Hammond and anti-Hammond postulates to understand hydrolysis in solution

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    20. Cui, Q; Karplus, M
      Triosephosphate isomerase: A theoretical comparison of alternative pathways

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    21. Stote, RH; Dejaegere, AP; Lefevre, JF; Karplus, M
      Multiple conformations of RGDW and DRGDW: A theoretical study and comparison with NMR results

      JOURNAL OF PHYSICAL CHEMISTRY B
    22. Petrella, RJ; Karplus, M
      A limiting-case study of protein structure prediction: Energy-based searches of reduced conformational space

      JOURNAL OF PHYSICAL CHEMISTRY B
    23. Cui, Q; Karplus, M
      Molecular properties from combined QM/MM methods. 2. Chemical shifts in large molecules

      JOURNAL OF PHYSICAL CHEMISTRY B
    24. Karplus, M
      Aspects of protein reaction dynamics: Deviations from simple behavior

      JOURNAL OF PHYSICAL CHEMISTRY B
    25. Reuter, N; Dejaegere, A; Maigret, B; Karplus, M
      Frontier bonds in QM/MM methods: A comparison of different approaches

      JOURNAL OF PHYSICAL CHEMISTRY A
    26. Vitkup, D; Ringe, D; Petsko, GA; Karplus, M
      Solvent mobility and the protein 'glass' transition

      NATURE STRUCTURAL BIOLOGY
    27. Dinner, AR; Sali, A; Smith, LJ; Dobson, CM; Karplus, M
      Understanding protein folding via free-energy surfaces from theory and experiment

      TRENDS IN BIOCHEMICAL SCIENCES
    28. Lazaridis, T; Karplus, M
      Effective energy functions for protein structure prediction

      CURRENT OPINION IN STRUCTURAL BIOLOGY
    29. Caflisch, A; Schramm, HJ; Karplus, M
      Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    30. Marti-Renom, MA; Stote, RH; Querol, E; Aviles, FX; Karplus, M
      Structures of scrambled disulfide forms of the potato carboxypeptidase inhibitor predicted by molecular dynamics simulations with constraints

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    31. Stultz, CM; Karplus, M
      Dynamic ligand design and combinatorial optimization: Designing inhibitorsto endothiapepsin

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    32. So, SS; van Helden, SP; van Geerestein, VJ; Karplus, M
      Quantitative structure - Activity relationship studies of progesterone receptor binding steroids

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    33. Paci, E; Karplus, M
      Unfolding proteins by external forces and temperature: The importance of topology and energetics

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    34. Shalev, H; Moser, A; Kapelushnik, J; Karplus, M; Zucker, N; Yaniv, I; Tamary, H
      Congenital dyserythropoietic anemia type I presenting as persistent pulmonary hypertension of the newborn

      JOURNAL OF PEDIATRICS
    35. Ma, JP; Sigler, PB; Xu, ZH; Karplus, M
      A dynamic model for the allosteric mechanism of GroEL

      JOURNAL OF MOLECULAR BIOLOGY
    36. Michielin, O; Luescher, I; Karplus, M
      Modeling of the TCR-MHC-peptide complex

      JOURNAL OF MOLECULAR BIOLOGY
    37. Cui, Q; Karplus, M
      Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations

      JOURNAL OF CHEMICAL PHYSICS
    38. Zhou, YQ; Cook, M; Karplus, M
      Protein motions at zero-total angular momentum: The importance of long-range correlations

      BIOPHYSICAL JOURNAL
    39. Shinwell, ES; Karplus, M; Reich, D; Weintraub, Z; Blazer, S; Bader, D; Yurman, S; Dolfin, T; Kogan, A; Dollberg, S; Arbel, E; Goldberg, M; Gur, I; Naor, N; Sirota, L; Mogilner, S; Zaritsky, A; Barak, M; Gottfried, E
      Early postnatal dexamethasone treatment and increased incidence of cerebral palsy

      ARCHIVES OF DISEASE IN CHILDHOOD
    40. Mulholland, AJ; Lyne, PD; Karplus, M
      Ab initio QM/MM study of the citrate synthase mechanism. A low-barrier hydrogen bond is not involved

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    41. Lyne, PD; Karplus, M
      Determination of the pK(a) of the 2 '-hydroxyl group of a phosphorylated ribose: Implications for the mechanism of hammerhead ribozyme catalysis

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    42. Dinner, AR; Karplus, M
      The thermodynamics and kinetics of protein folding: A lattice model analysis of multiple pathways with intermediates

      JOURNAL OF PHYSICAL CHEMISTRY B
    43. Simonson, T; Archontis, G; Karplus, M
      A Poisson-Boltzmann study of charge insertion in an enzyme active site: The effect of dielectric relaxation

      JOURNAL OF PHYSICAL CHEMISTRY B
    44. van Vlijmen, HWT; Karplus, M
      Analysis of calculated normal modes of a set of native and partially unfolded proteins

      JOURNAL OF PHYSICAL CHEMISTRY B
    45. Bartels, C; Schaefer, M; Karplus, M
      Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding

      THEORETICAL CHEMISTRY ACCOUNTS
    46. Leclerc, F; Karplus, M
      MCSS-based predictions of RNA binding sites

      THEORETICAL CHEMISTRY ACCOUNTS
    47. Schaefer, M; Bartels, C; Karplus, M
      Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions

      THEORETICAL CHEMISTRY ACCOUNTS
    48. York, DM; Karplus, M
      A smooth solvation potential based on the conductor-like screening model

      JOURNAL OF PHYSICAL CHEMISTRY A
    49. Lyne, PD; Hodoscek, M; Karplus, M
      A hybrid QM-MM potential employing Hartree-Fock or density functional methods in the quantum region

      JOURNAL OF PHYSICAL CHEMISTRY A
    50. Boresch, S; Karplus, M
      The role of bonded terms in free energy simulations: Theoretical analysis

      JOURNAL OF PHYSICAL CHEMISTRY A
    51. Boresch, S; Karplus, M
      The role of bonded terms in free energy simulations. 2. Calculation of their influence on free energy differences of solvation

      JOURNAL OF PHYSICAL CHEMISTRY A
    52. Caflisch, A; Karplus, M
      Structural details of urea binding to barnase: a molecular dynamics analysis

      STRUCTURE WITH FOLDING & DESIGN
    53. Zhou, YQ; Hall, CK; Karplus, M
      The calorimetric criterion for a two-state process revisited

      PROTEIN SCIENCE
    54. So, SS; Karplus, M
      A comparative study of ligand-receptor complex binding affinity predictionmethods based on glycogen phosphorylase inhibitors

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    55. Stultz, CM; Karplus, M
      MCSS functionality maps for a flexible protein

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    56. Chandonia, JM; Karplus, M
      New methods for accurate prediction of protein secondary structure

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    57. Lazaridis, T; Karplus, M
      Effective energy function for proteins in solution

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    58. Dinner, AR; Abkevich, V; Shakhnovich, E; Karplus, M
      Factors that affect the folding ability of proteins

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    59. Karplus, M
      Protein folding: Insights from simulations

      PHYSICA A
    60. Lazaridis, T; Karplus, M
      Heat capacity and compactness of denatured proteins

      BIOPHYSICAL CHEMISTRY
    61. Karplus, M; Janin, J
      The entropy cost of protein association - Comment

      PROTEIN ENGINEERING
    62. Dinner, AR; Verosub, E; Karplus, M
      Use of a quantitative structure-property relationship to design larger model proteins that fold rapidly

      PROTEIN ENGINEERING
    63. Zhou, YQ; Karplus, M
      Interpreting the folding kinetics of helical proteins

      NATURE
    64. Dinner, AR; Lazaridis, T; Karplus, M
      Understanding beta-hairpin formation

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    65. Zhou, YQ; Karplus, M
      Folding of a model three-helix bundle protein: A thermodynamic and kineticanalysis

      JOURNAL OF MOLECULAR BIOLOGY
    66. Dinner, AR; Karplus, M
      Is protein unfolding the reverse of protein folding? A lattice simulation analysis

      JOURNAL OF MOLECULAR BIOLOGY
    67. Blondel, A; Renaud, JP; Fischer, S; Moras, D; Karplus, M
      Retinoic acid receptor: A simulation analysis of retinoic acid binding andthe resulting conformational changes

      JOURNAL OF MOLECULAR BIOLOGY
    68. Paci, E; Karplus, M
      Forced unfolding of fibronectin type 3 modules: An analysis by biased molecular dynamics simulations

      JOURNAL OF MOLECULAR BIOLOGY
    69. Lazaridis, T; Karplus, M
      Discrimination of the native from misfolded protein models with an energy function including implicit solvation

      JOURNAL OF MOLECULAR BIOLOGY
    70. Zhou, YQ; Vitkup, D; Karplus, M
      Native proteins are surface-molten solids: Application of the Lindemann criterion for the solid versus liquid state

      JOURNAL OF MOLECULAR BIOLOGY
    71. Bartels, C; Schaefer, M; Karplus, M
      Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella sampling

      JOURNAL OF CHEMICAL PHYSICS
    72. Kessler, B; Michielin, O; Blanchard, CL; Apostolou, I; Delarbre, C; Gachelin, G; Gregoire, C; Malissen, B; Cerottini, JC; Wurm, F; Karplus, M; Luescher, IF
      T cell recognition of hapten - Anatomy of T cell receptor binding of a H-2K(d)-associated photoreactive peptide derivative

      JOURNAL OF BIOLOGICAL CHEMISTRY
    73. Kessler, B; Michielin, O; Blanchard, CL; Apostolou, I; Delarbre, C; Gachelin, G; Gregoire, C; Malissen, B; Certotini, JC; Wurm, F; Karplus, M; Leuscher, IF
      T cell recognition of hapten. Anatomy of T cell receptor binding of a H-2K(d)-associated photoreactive peptide derivative (vol 274, pg 3622, 1999)

      JOURNAL OF BIOLOGICAL CHEMISTRY
    74. Elber, R; Karplus, M
      Reply to the paper by Stacho et al. "On the Elber-Karplus reaction path-following method and related procedures" [Chem. Phys. Lett. 311(1999) 328]

      CHEMICAL PHYSICS LETTERS
    75. Buck, M; Karplus, M
      Internal and overall peptide group motion in proteins: molecular dynamics simulations for lysozyme compared with results from X-ray and NMR spectroscopy

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    76. Lopez, X; Dejaegere, A; Karplus, M
      Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    77. BARTELS C; KARPLUS M
      PROBABILITY-DISTRIBUTIONS FOR COMPLEX-SYSTEMS - ADAPTIVE UMBRELLA SAMPLING OF THE POTENTIAL-ENERGY

      JOURNAL OF PHYSICAL CHEMISTRY B
    78. MACKERELL AD; BASHFORD D; BELLOTT M; DUNBRACK RL; EVANSECK JD; FIELD MJ; FISCHER S; GAO J; GUO H; HA S; JOSEPHMCCARTHY D; KUCHNIR L; KUCZERA K; LAU FTK; MATTOS C; MICHNICK S; NGO T; NGUYEN DT; PRODHOM B; REIHER WE; ROUX B; SCHLENKRICH M; SMITH JC; STOTE R; STRAUB J; WATANABE M; WIORKIEWICZKUCZERA J; YIN D; KARPLUS M
      ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS

      JOURNAL OF PHYSICAL CHEMISTRY B
    79. DOBSON CM; SALI A; KARPLUS M
      PROTEIN-FOLDING - A PERSPECTIVE FROM THEORY AND EXPERIMENT

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    80. PETRELLA RJ; LAZARIDIS T; KARPLUS M
      PROTEIN SIDE-CHAIN CONFORMER PREDICTION - A TEST OF THE ENERGY FUNCTION

      Folding & design
    81. Petrella, RJ; Lazaridis, T; Karplus, M
      Protein sidechain conformer prediction: a test of the energy function (vol3, pg 353, 1998)

      FOLDING & DESIGN
    82. DINNER AR; KARPLUS M
      A METASTABLE STATE IN FOLDING SIMULATIONS OF A PROTEIN MODEL

      Nature structural biology
    83. CAVES LSD; EVANSECK JD; KARPLUS M
      LOCALLY ACCESSIBLE CONFORMATIONS OF PROTEINS - MULTIPLE MOLECULAR-DYNAMICS SIMULATIONS OF CRAMBIN

      Protein science
    84. VANVLIJMEN HWT; SCHAEFER M; KARPLUS M
      IMPROVING THE ACCURACY OF PROTEIN PK(A) CALCULATIONS - CONFORMATIONALAVERAGING VERSUS THE AVERAGE STRUCTURE

      Proteins
    85. DINNER AR; SO SS; KARPLUS M
      USE OF QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS TO PREDICT THE FOLDING ABILITY OF MODEL PROTEINS

      Proteins
    86. MA JP; KARPLUS M
      THE ALLOSTERIC MECHANISM OF THE CHAPERONIN GROEL - A DYNAMIC ANALYSIS

      Proceedings of the National Academy of Sciences of the United Statesof America
    87. Ma, JP; Zheng, XF; Schnappauf, G; Braus, G; Karplus, M; Lipscomb, WN
      Yeast chorismate mutase in the R state: Simulations of the active site

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    88. MARTIRENOM NA; STOTE RH; QUEROL E; AVILES FX; KARPLUS M
      REFOLDING OF POTATO CARBOXYPEPTIDASE INHIBITOR BY MOLECULAR-DYNAMICS SIMULATIONS WITH DISULFIDE BOND CONSTRAINTS

      Journal of Molecular Biology
    89. ARCHONTIS G; SIMONSON T; MORAS D; KARPLUS M
      SPECIFIC AMINO-ACID RECOGNITION BY ASPARTYL-TRANSFER-RNA SYNTHETASE STUDIED BY FREE-ENERGY SIMULATIONS

      Journal of Molecular Biology
    90. VANVLIJMEN HWT; CURRY S; SCHAEFER M; KARPLUS M
      TITRATION CALCULATIONS OF FOOT-AND-MOUTH-DISEASE VIRUS CAPSIDS AND THEIR STABILITIES AS A FUNCTION OF PH

      Journal of Molecular Biology
    91. Bartels, C; Stote, RH; Karplus, M
      Characterization of flexible molecules in solution: the RGDW peptide

      JOURNAL OF MOLECULAR BIOLOGY
    92. Schaefer, M; Bartels, C; Karplus, M
      Solution conformations and thermodynamics of structured peptides: Molecular dynamics simulation with an implicit solvation model

      JOURNAL OF MOLECULAR BIOLOGY
    93. STULTZ CM; KARPLUS M
      ON THE POTENTIAL SURFACE OF THE LOCALLY ENHANCED SAMPLING APPROXIMATION

      The Journal of chemical physics
    94. GUTIN A; SALI A; ABKEVICH V; KARPLUS M; SHAKHNOVICH EI
      TEMPERATURE-DEPENDENCE OF THE FOLDING RATE IN A SIMPLE PROTEIN MODEL - SEARCH FOR A GLASS-TRANSITION

      The Journal of chemical physics
    95. SCHAEFER M; SOMMER M; KARPLUS M
      PH-DEPENDENCE OF PROTEIN STABILITY - ABSOLUTE ELECTROSTATIC FREE-ENERGY DIFFERENCES BETWEEN CONFORMATIONS

      JOURNAL OF PHYSICAL CHEMISTRY B
    96. SIMONSON T; ARCHONTIS G; KARPLUS M
      CONTINUUM TREATMENT OF LONG-RANGE INTERACTIONS IN FREE-ENERGY CALCULATIONS - APPLICATION TO PROTEIN-LIGAND BINDING

      JOURNAL OF PHYSICAL CHEMISTRY B
    97. KARPLUS M
      THE LEVINTHAL PARADOX - YESTERDAY AND TODAY

      Folding & design
    98. VITKUP D; PETSKO GA; KARPLUS M
      A COMPARISON BETWEEN MOLECULAR-DYNAMICS AND X-RAY RESULTS FOR DISSOCIATED CO IN MYOGLOBIN

      Nature structural biology
    99. LAZARIDIS T; LEE I; KARPLUS M
      DYNAMICS AND UNFOLDING PATHWAYS OF A HYPERTHERMOPHILIC AND A MESOPHILIC RUBREDOXIN

      Protein science
    100. MULHOLLAND AJ; KARPLUS M
      SUBSTRATE-BINDING AND CATALYSIS IN LYSOZYME - CRYSTALLOGRAPHIC AND SIMULATION INVESTIGATIONS

      The FASEB journal


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 12/08/20 alle ore 06:02:29