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 ' Mark, AE' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 44 riferimenti
Selezionare un intervallo

Per ulteriori informazioni selezionare i riferimenti di interesse.

    1. Fioroni, M; Burger, K; Mark, AE; Roccatano, D
      Model of 1,1,1,3,3,3-hexafluoro-propan-2-ol for molecular dynamics simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Marrink, SJ; Mark, AE
      Effect of undulations on surface tension in simulated bilayers

      JOURNAL OF PHYSICAL CHEMISTRY B
    3. Zangi, R; Kovacs, H; van Gunsteren, WF; Johansson, J; Mark, AE
      Free energy barrier estimation of unfolding the alpha-helical surfactant-associated polypeptide C

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    4. Schafer, H; Daura, X; Mark, AE; van Gunsteren, WF
      Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    5. Roccatano, D; Mark, AE; Hayward, S
      Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation

      JOURNAL OF MOLECULAR BIOLOGY
    6. de Groot, BL; Daura, X; Mark, AE; Grubmuller, H
      Essential dynamics of reversible peptide folding: Memory-free conformational dynamics governed by internal hydrogen bonds

      JOURNAL OF MOLECULAR BIOLOGY
    7. Walser, R; Hess, B; Mark, AE; van Gunsteren, WF
      Further investigation on the validity of Stokes-Einstein behaviour at the molecular level

      CHEMICAL PHYSICS LETTERS
    8. Marrink, SJ; Lindahl, E; Edholm, O; Mark, AE
      Simulation of the spontaneous aggregation of phospholipids into bilayers

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    9. Marrink, SJ; Tieleman, DP; Mark, AE
      Molecular dynamics simulation of the kinetics of spontaneous micelle formation

      JOURNAL OF PHYSICAL CHEMISTRY B
    10. Fioroni, M; Burger, K; Mark, AE; Roccatano, D
      A new 2,2,2-trifluoroethanol model for molecular dynamics simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    11. Schafer, H; Mark, AE; van Gunsteren, WF
      Absolute entropies from molecular dynamics simulation trajectories

      JOURNAL OF CHEMICAL PHYSICS
    12. Walser, R; Mark, AE; van Gunsteren, WF; Lauterbach, M; Wipff, G
      The effect of force-field parameters on properties of liquids: Parametrization of a simple three-site model for methanol

      JOURNAL OF CHEMICAL PHYSICS
    13. Bonvin, AMJJ; Mark, AE; van Gunsteren, WF
      The GROMOS96 benchmarks for molecular simulation

      COMPUTER PHYSICS COMMUNICATIONS
    14. Walser, R; Mark, AE; van Gunsteren, WF
      On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations

      BIOPHYSICAL JOURNAL
    15. Daura, X; Gademann, K; Jaun, B; Seebach, D; van Gunsteren, WF; Mark, AE
      Peptide folding: When simulation meets experiment

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    16. Scott, WRP; Hunenberger, PH; Tironi, IG; Mark, AE; Billeter, SR; Fennen, J; Torda, AE; Huber, T; Kruger, P; van Gunsteren, WF
      The GROMOS biomolecular simulation program package

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Daura, X; Antes, I; van Gunsteren, WF; Thiel, W; Mark, AE
      The effect of motional averaging on the calculation of NMR-derived structural properties

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    18. Daura, X; van Gunsteren, WF; Mark, AE
      Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    19. Schafer, H; Van Gunsteren, WF; Mark, AE
      Estimating relative free energies from a single ensemble: Hydration free energies

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    20. Daura, X; Mark, AE; van Gunsteren, WF
      Peptide folding simulations: no solvent required?

      COMPUTER PHYSICS COMMUNICATIONS
    21. Walser, R; Mark, AE; van Gunsteren, WF
      On the validity of Stokes' law at the molecular level

      CHEMICAL PHYSICS LETTERS
    22. Scott, WRP; Mark, AE; van Gunsteren, WF
      On using time-averaging restraints in molecular dynamics simulation

      JOURNAL OF BIOMOLECULAR NMR
    23. DAURA X; MARK AE; VANGUNSTEREN WF
      PARAMETRIZATION OF ALIPHATIC CHN UNITED ATOMS OF GROMOS96 FORCE-FIELD

      Journal of computational chemistry
    24. DAURA X; JAUN B; SEEBACH D; VANGUNSTEREN WF; MARK AE
      REVERSIBLE PEPTIDE FOLDING IN SOLUTION BY MOLECULAR-DYNAMICS SIMULATION

      Journal of Molecular Biology
    25. SMITH LJ; MARK AE; DOBSON CM; VANGUNSTEREN WF
      MOLECULAR-DYNAMICS SIMULATIONS OF PEPTIDE-FRAGMENTS FROM HEN LYSOZYME- INSIGHT INTO NONNATIVE PROTEIN CONFORMATIONS

      Journal of Molecular Biology
    26. VANGUNSTEREN WF; MARK AE
      VALIDATION OF MOLECULAR-DYNAMICS SIMULATION

      The Journal of chemical physics
    27. KOVACS H; MARK AE; VANGUNSTEREN WF
      SOLVENT STRUCTURE AT A HYDROPHOBIC PROTEIN SURFACE

      Proteins
    28. LIU HY; MARK AE; VANGUNSTEREN WF
      ESTIMATING THE RELATIVE FREE-ENERGY OF DIFFERENT MOLECULAR-STATES WITH RESPECT TO A SINGLE REFERENCE STATE

      Journal of physical chemistry
    29. DAURA X; HUNENBERGER PH; MARK AE; QUEROL E; AVILES FX; VANGUNSTEREN WF
      FREE-ENERGIES OF TRANSFER OF TRP ANALOGS FROM CHLOROFORM TO WATER - COMPARISON OF THEORY AND EXPERIMENT AND THE IMPORTANCE OF ADEQUATE TREATMENT OF ELECTROSTATIC AND INTERNAL INTERACTIONS

      Journal of the American Chemical Society
    30. VANGUNSTEREN WF; HUNENBERGER PH; KOVACS H; MARK AE; SCHIFFER CA
      INVESTIGATION OF PROTEIN UNFOLDING AND STABILITY BY COMPUTER-SIMULATION

      Philosophical transactions-Royal Society of London. Biological sciences
    31. HUNENBERGER PH; MARK AE; VANGUNSTEREN WF
      COMPUTATIONAL APPROACHES TO STUDY PROTEIN UNFOLDING - HEN EGG-WHITE LYSOZYME AS A CASE-STUDY

      Proteins
    32. HUNENBERGER PH; MARK AE; VANGUNSTEREN WF
      FLUCTUATION AND CROSS-CORRELATION ANALYSIS OF PROTEIN MOTIONS OBSERVED IN NANOSECOND MOLECULAR-DYNAMICS SIMULATIONS

      Journal of Molecular Biology
    33. KOVACS H; MARK AE; JOHANSSON J; VANGUNSTEREN WF
      THE EFFECT OF ENVIRONMENT ON THE STABILITY OF AN INTEGRAL MEMBRANE HELIX - MOLECULAR-DYNAMICS SIMULATIONS OF SURFACTANT PROTEIN-C IN CHLOROFORM, METHANOL AND WATER

      Journal of Molecular Biology
    34. VANGUNSTEREN WF; HUNENBERGER PH; MARK AE; SMITH PE; TIRONI IG
      COMPUTER-SIMULATION OF PROTEIN MOTION

      Computer physics communications
    35. SMITH LJ; MARK AE; DOBSON CM; VANGUNSTEREN WF
      COMPARISON OF MD SIMULATIONS AND NMR EXPERIMENTS FOR HEN LYSOZYME - ANALYSIS OF LOCAL FLUCTUATIONS, COOPERATIVE MOTIONS, AND GLOBAL CHANGES

      Biochemistry
    36. MARK AE; XU YW; LIU HY; VANGUNSTEREN WF
      RAPID NONEMPIRICAL APPROACHES FOR ESTIMATING RELATIVE BINDING FREE-ENERGIES

      Acta Biochimica Polonica
    37. VANGUNSTEREN WF; KING PM; MARK AE
      FUNDAMENTALS OF DRUG DESIGN FROM A BIOPHYSICAL VIEWPOINT

      Quarterly Reviews of Biophysics
    38. MARK AE; VANGUNSTEREN WF
      DECOMPOSITION OF THE FREE-ENERGY OF A SYSTEM IN TERMS OF SPECIFIC INTERACTIONS - IMPLICATIONS FOR THEORETICAL AND EXPERIMENTAL STUDIES

      Journal of Molecular Biology
    39. DELACRUZ X; MARK AE; TORMO J; FITA I; VANGUNSTEREN WF
      INVESTIGATION OF SHAPE VARIATIONS IN THE ANTIBODY-BINDING SITE BY MOLECULAR-DYNAMICS COMPUTER-SIMULATION

      Journal of Molecular Biology
    40. BEUTLER TC; MARK AE; VANSCHAIK RC; GERBER PR; VANGUNSTEREN WF
      AVOIDING SINGULARITIES AND NUMERICAL INSTABILITIES IN FREE-ENERGY CALCULATIONS BASED ON MOLECULAR SIMULATIONS

      Chemical physics letters
    41. MARK AE; VANHELDEN SP; SMITH PE; JANSSEN LHM; VANGUNSTEREN WF
      CONVERGENCE PROPERTIES OF FREE-ENERGY CALCULATIONS - ALPHA-CYCLODEXTRIN COMPLEXES AS A CASE-STUDY

      Journal of the American Chemical Society
    42. GERBER PR; MARK AE; VANGUNSTEREN WF
      AN APPROXIMATE BUT EFFICIENT METHOD TO CALCULATE FREE-ENERGY TRENDS BY COMPUTER-SIMULATION - APPLICATION TO DIHYDROFOLATE-REDUCTASE INHIBITOR COMPLEXES

      Journal of computer-aided molecular design
    43. YUNYU S; MARK AE; WANG CX; HUANG FH; BERENDSEN HJC; VANGUNSTEREN WF
      CAN THE STABILITY OF PROTEIN MUTANTS BE PREDICTED BY FREE-ENERGY CALCULATIONS

      Protein engineering
    44. ELTAYAR N; MARK AE; VALLAT P; BRUNNE RM; TESTA B; VANGUNSTEREN WF
      SOLVENT-DEPENDENT CONFORMATION AND HYDROGEN-BONDING CAPACITY OF CYCLOSPORINE-A - EVIDENCE FROM PARTITION-COEFFICIENTS AND MOLECULAR-DYNAMICS SIMULATIONS

      Journal of medicinal chemistry


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/06/20 alle ore 20:59:03