Catalogo Articoli (Spogli Riviste)

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La ricerca find articoli where soggetti phrase all words 'RAPID CALCULATION' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 22 riferimenti
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    1. Tice, CM
      Selecting the right compounds for screening: does Lipinski's Rule of 5 forpharmaceuticals apply to agrochemicals?

      PEST MANAGEMENT SCIENCE
    2. Hayryan, S; Hu, CK; Hu, SY; Shang, RJ
      Multicanonical parallel simulations of proteins with continuous potentials

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    3. Liu, RF; Sun, HM; So, SS
      Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 2. Blood-brain barrier penetration

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    4. Fu, XC; Liang, WQ
      Prediction of corneal permeability using polar molecular surface areas

      PHARMAZIE
    5. Fernandez, A; Appignanesi, G
      Ribonucleic acid folder: The earliest moves of a good structure seeker

      JOURNAL OF CHEMICAL PHYSICS
    6. Yamashita, H; Endo, S; Wako, H; Kidera, A
      Sampling efficiency of molecular dynamics and Monte Carlo method in protein simulation

      CHEMICAL PHYSICS LETTERS
    7. Osterberg, T; Norinder, U
      Prediction of polar surface area and drug transport processes using simpleparameters and PLS statistics

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    8. Ertl, P; Rohde, B; Selzer, P
      Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties

      JOURNAL OF MEDICINAL CHEMISTRY
    9. Matsumoto, A; Tomimoto, M; Go, N
      Dynamical structure of transfer RNA studied by normal mode analysis

      EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    10. ISHIDA H; JOCHI Y; KIDERA A
      DYNAMIC STRUCTURE OF SUBTILISIN-EGLIN-C COMPLEX STUDIED BY NORMAL-MODE ANALYSIS

      Proteins
    11. GOZALPOUR F; DANESH A; TODD AC; TEHRANI DH
      RAPID AND ROBUST PHASE-EQUILIBRIUM CALCULATION TO MODEL FLUIDS IN RESERVOIR AND SURFACE PROCESSING

      Chemical engineering research & design
    12. NAKAMURA S; IKEGUCHI M; SHIMIZU K
      PARALLEL ALGORITHM FOR EFFICIENT CALCULATION OF 2ND DERIVATIVES OF CONFORMATIONAL ENERGY FUNCTION IN INTERNAL COORDINATES

      Journal of computational chemistry
    13. HE SQ; SCHERAGA HA
      MACROMOLECULAR CONFORMATIONAL DYNAMICS IN TORSIONAL ANGLE SPACE

      The Journal of chemical physics
    14. MAZUR AK
      OUASI-HAMILTONIAN EQUATIONS OF MOTION FOR INTERNAL COORDINATE MOLECULAR-DYNAMICS OF POLYMERS

      Journal of computational chemistry
    15. LIN DH; MATSUMOTO A; GO N
      NORMAL-MODE ANALYSIS OF A DOUBLE-STRANDED DNA DODECAMER D(CGCGAATTCGCG)

      The Journal of chemical physics
    16. GIBRAT JF
      FAST CALCULATION OF THE FIRST-DERIVATIVE AND 2ND-DERIVATIVE OF THE CONFORMATIONAL ENERGY OF OLIGOMERIC PROTEINS WITH RESPECT TO A SET OF VARIABLES MIXING DIHEDRAL ANGLES AND RIGID-BODY VARIABLES

      Journal de chimie physique et de physico-chimie biologique
    17. TOMIMOTO M; GO N; WAKO H
      CONFORMATIONAL-ANALYSIS OF NUCLEIC-ACID MOLECULES WITH FLEXIBLE FURANOSE RINGS IN DIHEDRAL ANGLE SPACE

      Journal of computational chemistry
    18. ENDO S; HIGO J; NAGAYAMA K; WAKO H
      NEW IMPLEMENTATION OF AND THE MODELING BY THE EXTENDED SIMULATED ANNEALING PROCESS TO STRUCTURES OF T4 LYSOZYME MUTANTS AT THE 86TH RESIDUE

      Journal of computational chemistry
    19. WAKO H; ENDO S; NAGAYAMA K; GO N
      FEDER 2 - PROGRAM FOR STATIC AND DYNAMIC CONFORMATIONAL ENERGY ANALYSIS OF MACRO-MOLECULES IN DIHEDRAL ANGLE SPACE/

      Computer physics communications
    20. GIBRAT JF; GARNIER J; GO N
      NORMAL-MODE ANALYSIS OF OLIGOMERIC PROTEINS - REDUCTION OF THE MEMORYREQUIREMENT BY CONSIDERATION OF RIGID GEOMETRY AND MOLECULAR SYMMETRY

      Journal of computational chemistry
    21. TOTROV M; ABAGYAN R
      EFFICIENT PARALLELIZATION OF THE ENERGY, SURFACE, AND DERIVATIVE CALCULATIONS FOR INTERNAL COORDINATE MECHANICS

      Journal of computational chemistry
    22. VASQUEZ M; MEIROVITCH E; MEIROVITCH H
      A FREE-ENERGY BASED MONTE-CARLO MINIMIZATION PROCEDURE FOR BIOMOLECULES

      Journal of physical chemistry


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 01/06/20 alle ore 22:40:37