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La ricerca find articoli where soggetti phrase all words 'DIFFUSION EQUATION METHOD' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 64 riferimenti
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    1. Williams, GA; Dugan, JM; Altman, RB
      Constrained global optimization for estimating molecular structure from atomic distances

      JOURNAL OF COMPUTATIONAL BIOLOGY
    2. Tovchigrechko, A; Vakser, IA
      How common is the funnel-like energy landscape in protein-protein interactions?

      PROTEIN SCIENCE
    3. Tappura, K
      Influence of rotational energy barriers to the conformational search of protein loops in molecular dynamics and ranking the conformations

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    4. Gorse, D
      Global minimization of an off-lattice potential energy function using a chaperone-based refolding method

      BIOPOLYMERS
    5. Hart, RK; Pappu, RV; Ponder, JW
      Exploring the similarities between potential smoothing and simulated annealing

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    6. Tappura, K; Lahtela-Kakkonen, M; Teleman, O
      A new soft-core potential function for molecular dynamics applied to the prediction of protein loop conformations

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    7. Lee, J; Liwo, A; Ripoll, DR; Pillardy, J; Saunders, JA; Gibson, KD; Scheraga, HA
      Hierarchical energy-based approach to protein-structure prediction: Blind-test evaluation with CASP3 targets

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    8. Pillardy, J; Wawak, RJ; Arnautova, YA; Czaplewski, C; Scheraga, HA
      Crystal structure prediction by global optimization as a tool for evaluating potentials: Role of the dipole moment correction term in successful predictions

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    9. Qian, JA; Stockelmann, E; Hentschke, R
      Global potential energy minima of SPC/E water clusters without and with induced polarization using a genetic algorithm

      JOURNAL OF MOLECULAR MODELING
    10. Pillardy, J; Liwo, A; Groth, M; Scheraga, HA
      An efficient deformation-based global optimization method for off-lattice polymer chains: Self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to united-residue polypeptide chains

      JOURNAL OF PHYSICAL CHEMISTRY B
    11. Liwo, A; Pillardy, J; Kazmierkiewicz, R; Wawak, RJ; Groth, M; Czaplewski, C; Oldziej, S; Scheraga, HA
      Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods

      THEORETICAL CHEMISTRY ACCOUNTS
    12. Pillardy, J; Liwo, A; Scheraga, HA
      An efficient deformation-based global optimization method (self-consistentbasin-to-deformed-basin mapping (SCBDBM)). Application to Lennard-Jones atomic clusters

      JOURNAL OF PHYSICAL CHEMISTRY A
    13. Pappu, RV; Marshall, GR; Ponder, JW
      A potential smoothing algorithm accurately predicts transmembrane helix packing

      NATURE STRUCTURAL BIOLOGY
    14. More, JJ; Wu, ZJ
      Distance geometry optimization for protein structures

      JOURNAL OF GLOBAL OPTIMIZATION
    15. Scheraga, HA; Lee, J; Pillardy, J; Ye, YJ; Liwo, A; Ripoll, D
      Surmounting the multiple-minima problem in protein folding

      JOURNAL OF GLOBAL OPTIMIZATION
    16. Starikov, EB; Lehrach, H; Wanker, EE
      Folding of oligoglutamines: A theoretical approach based upon thermodynamics and molecular mechanics

      JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
    17. Khan, MA; Li, ZR; Tian, AM
      Conformational analysis of polyacrylamide

      JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN
    18. Church, BW; Ulitsky, A; Shalloway, D
      Macrostate dissection of thermodynamic Monte Carlo integrals

      MONTE CARLO METHODS IN CHEMICAL PHYSICS
    19. Wales, DJ; Scheraga, HA
      Review: Chemistry - Global optimization of clusters, crystals, and biomolecules

      SCIENCE
    20. Nakamura, S; Hirose, H; Ikeguchi, M; Shimizu, K
      Structural modeling of DNA mini-hairpin molecules with various loop sequences

      CHEMICAL PHYSICS LETTERS
    21. Pappu, RV; Hart, RK; Ponder, JW
      Analysis and application of potential energy smoothing and search methods for global optimization

      JOURNAL OF PHYSICAL CHEMISTRY B
    22. HUBER T; VANGUNSTEREN WF
      SWARM-MD - SEARCHING CONFORMATIONAL SPACE BY COOPERATIVE MOLECULAR-DYNAMICS

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    23. ANDRICIOAEI I; STRAUB JE
      GLOBAL OPTIMIZATION USING BAD DERIVATIVES - DERIVATIVE-FREE METHOD FOR MOLECULAR-ENERGY MINIMIZATION

      Journal of computational chemistry
    24. KLEIN CT; MAYER B; KOHLER G; WOLSCHANN P
      SYSTEMATIC STEPSIZE VARIATION - EFFICIENT METHOD FOR SEARCHING CONFORMATIONAL SPACE OF POLYPEPTIDES

      Journal of computational chemistry
    25. LI ZQ; LAIDIG KE; DAGGETT V
      CONFORMATIONAL SEARCH USING A MOLECULAR DYNAMICS-MINIMIZATION PROCEDURE - APPLICATIONS TO CLUSTERS OF COULOMBIC CHARGES, LENNARD-JONES PARTICLES, AND WATERS

      Journal of computational chemistry
    26. OLSZEWSKI KA
      AB-INITIO PROTEIN-FOLDING - IS CONFORMATIONAL SPACE SEARCHING ENOUGH

      Polish Journal of Chemistry
    27. PILLARDY J; PIELA L
      MULTIPLE ELLIPTIC-GAUSSIAN-DENSITY ANNEALING AS A TOOL FOR FINDING THE MOST STABLE STRUCTURES - APPLICATION TO LENNARD-JONES ATOMIC CLUSTERS

      Polish Journal of Chemistry
    28. PIELA L
      SEARCH FOR THE MOST STABLE STRUCTURES ON POTENTIAL-ENERGY SURFACES

      Collection of Czechoslovak Chemical Communications
    29. WALES DJ; HODGES MP
      GLOBAL MINIMA OF WATER CLUSTERS (H2O)(N), N-LESS-THAN-OR-EQUAL-TO-21,DESCRIBED BY AN EMPIRICAL POTENTIAL

      Chemical physics letters
    30. SCHELSTRAETE S; VERSCHELDE H
      FINDING MINIMUM-ENERGY CONFIGURATIONS OF LENNARD-JONES CLUSTERS USINGAN EFFECTIVE POTENTIAL

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    31. HUBER GA; MCCAMMON JA
      WEIGHTED-ENSEMBLE SIMULATED ANNEALING - FASTER OPTIMIZATION ON HIERARCHICAL ENERGY SURFACES

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    32. SERRA P; STANTON AF; KAIS S
      PIVOT METHOD FOR GLOBAL OPTIMIZATION

      Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics
    33. MORE JJ; WU ZJ
      GLOBAL CONTINUATION FOR DISTANCE GEOMETRY PROBLEMS

      SIAM journal on optimization
    34. BERNE BJ; STRAUB JE
      NOVEL METHODS OF SAMPLING PHASE-SPACE IN THE SIMULATION OF BIOLOGICAL-SYSTEMS

      Current opinion in structural biology
    35. GOCKENBACH MS; KEARSLEY AJ; SYMES WW
      AN INFEASIBLE POINT METHOD FOR MINIMIZING THE LENNARD-JONES POTENTIAL

      COMPUTATIONAL OPTIMIZATION AND APPLICATIONS
    36. DEFRANCESCHI M; LEBRIS C
      COMPUTING A MOLECULE - A MATHEMATICAL VIEWPOINT

      Journal of mathematical chemistry
    37. CONSTANS P; AMAT L; CARBODORCA R
      TOWARD A GLOBAL MAXIMIZATION OF THE MOLECULAR SIMILARITY FUNCTION - SUPERPOSITION OF 2 MOLECULES

      Journal of computational chemistry
    38. PILLARDY J; PIELA L
      SMOOTHING TECHNIQUES OF GLOBAL OPTIMIZATION - DISTANCE SCALING METHODIN SEARCHES FOR MOST STABLE LENNARD-JONES ATOMIC CLUSTERS

      Journal of computational chemistry
    39. NEUMAIER A
      MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN-STRUCTURE

      SIAM review
    40. SERRA P; STANTON AF; KAIS S
      COMPARISON STUDY OF PIVOT METHODS FOR GLOBAL OPTIMIZATION

      The Journal of chemical physics
    41. PULLAN WJ
      GENETIC OPERATORS FOR THE ATOMIC CLUSTER PROBLEM

      Computer physics communications
    42. HONG SD; JHON MS
      RESTRICTED RANDOM SEARCH METHOD BASED ON TABOO SEARCH IN THE MULTIPLEMINIMA PROBLEM

      Chemical physics letters
    43. LIWO A; OLDZIEJ S; KAZMIERKIEWICZ R; GROTH M; CZAPLEWSKI C
      DESIGN OF A KNOWLEDGE-BASED FORCE-FIELD FOR OFF-LATTICE SIMULATIONS OF PROTEIN-STRUCTURE

      Acta Biochimica Polonica
    44. WU ZJ
      THE EFFECTIVE ENERGY TRANSFORMATION SCHEME AS A SPECIAL CONTINUATION APPROACH TO GLOBAL OPTIMIZATION WITH APPLICATION TO MOLECULAR-CONFORMATION

      SIAM journal on optimization
    45. SCHERAGA HA
      RECENT DEVELOPMENTS IN THE THEORY OF PROTEIN-FOLDING - SEARCHING FOR THE GLOBAL ENERGY MINIMUM

      Biophysical chemistry
    46. VAKSER IA
      LONG-DISTANCE POTENTIALS - AN APPROACH TO THE MULTIPLE-MINIMA PROBLEMIN LIGAND-RECEPTOR INTERACTION

      Protein engineering
    47. AMARA P; STRAUB JE
      ENERGY MINIMIZATION USING THE CLASSICAL DENSITY DISTRIBUTION - APPLICATION TO SODIUM-CHLORIDE CLUSTERS

      Physical review. B, Condensed matter
    48. WAWAK RJ; GIBSON KD; LIWO A; SCHERAGA HA
      THEORETICAL PREDICTION OF A CRYSTAL-STRUCTURE

      Proceedings of the National Academy of Sciences of the United Statesof America
    49. MAINZ DT; BERRY RS
      EFFECT OF POTENTIAL-ENERGY TOPOGRAPHY ON DYNAMICS AND PHASE-BEHAVIOR OF CLUSTERS

      Molecular physics
    50. SHALLOWAY D
      MACROSTATES OF CLASSICAL STOCHASTIC-SYSTEMS

      The Journal of chemical physics
    51. BRASSEUR R
      SIMULATING THE FOLDING OF SMALL PROTEINS BY USE OF THE LOCAL MINIMUM ENERGY AND THE FREE SOLVATION ENERGY YIELDS NATIVE-LIKE STRUCTURES

      Journal of molecular graphics
    52. PILLARDY J; PIELA L
      MOLECULAR-DYNAMICS ON DEFORMED POTENTIAL-ENERGY HYPERSURFACES

      Journal of physical chemistry
    53. NAKAMURA S; HIROSE H; IKEGUCHI M; DOI J
      CONFORMATIONAL ENERGY MINIMIZATION USING A 2-STAGE METHOD

      Journal of physical chemistry
    54. KOLINSKI A; SKOLNICK J
      MONTE-CARLO SIMULATIONS OF PROTEIN-FOLDING .1. LATTICE MODEL AND INTERACTION SCHEME

      Proteins
    55. PIELA L; OLSZEWSKI KA; PILLARDY J
      ON THE STABILITY OF CONFORMERS

      Journal of molecular structure. Theochem
    56. SCHERAGA HA
      THE MULTIPLE MINIMA PROBLEM IN PROTEIN-FOLDING

      Polish Journal of Chemistry
    57. CHAN SL; LIM C
      CONFORMATIONAL DISTRIBUTION OF A TETRAPEPTIDE IN SOLUTION USING A COMBINED RANDOM SEARCH AND CONTINUUM DIELECTRIC APPROACH

      Journal of physical chemistry
    58. BERRY RS
      CLUSTERS - TOOLS FOR STUDYING POTENTIAL SURFACES AND THEIR CONNECTIONTO MOLECULAR-DYNAMICS

      Journal of physical chemistry
    59. SOMORJAI RL
      A NOVEL-APPROACH FOR COMPUTING THE GLOBAL MINIMUM OF PROTEINS .3. COMPARISON WITH OTHER GLOBAL MINIMIZATION METHODS

      Journal of molecular structure
    60. TSOO C; BROOKS CL
      CLUSTER STRUCTURE DETERMINATION USING GAUSSIAN DENSITY DISTRIBUTION GLOBAL MINIMIZATION METHODS

      The Journal of chemical physics
    61. ORESIC M; SHALLOWAY D
      HIERARCHICAL CHARACTERIZATION OF ENERGY LANDSCAPES USING GAUSSIAN PACKET STATES

      The Journal of chemical physics
    62. MA JP; STRAUB JE
      SIMULATED ANNEALING USING THE CLASSICAL DENSITY DISTRIBUTION

      The Journal of chemical physics
    63. MARANAS CD; FLOUDAS CA
      A DETERMINISTIC GLOBAL OPTIMIZATION APPROACH FOR MOLECULAR-STRUCTURE DETERMINATION

      The Journal of chemical physics
    64. BERRY RS
      POTENTIAL SURFACES AND DYNAMICS - WHAT CLUSTERS TELL US

      Chemical reviews


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 06/08/20 alle ore 13:14:52