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 soggetti phrase all words 'MOLECULAR-FORCE FIELD' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 46 riferimenti
Selezionare un intervallo

Per ulteriori informazioni selezionare i riferimenti di interesse.

    1. Topacli, A; Bayari, S
      Normal coordinate analysis of 4-aminopyridine. Effect of substituent on pyridine ring in metal complexes of 4-substituted pyridines

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    2. Kamada, N; Iijima, H; Kimura, K; Harada, M; Shimizu, E; Motohashi, S; Kawano, T; Shinkai, H; Nakayama, T; Sakai, T; Brossay, L; Kronenberg, M; Taniguchi, M
      Crucial amino acid residues of mouse CD1d for glycolipid ligand presentation to V(alpha)14NKT cells

      INTERNATIONAL IMMUNOLOGY
    3. Tonder, JE; Olesen, PH; Hansen, JB; Begtrup, M; Pettersson, I
      An improved nicotinic pharmacophore and a stereoselective CoMFA-model for nicotinic agonists acting at the central nicotinic acetylcholine receptors labelled by [H-3]-N-methylcarbamylcholine

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    4. Gatto, B; Richter, S; Moro, S; Capranico, G; Palumbo, M
      The topoisomerase II poison clerocidin alkylates non-paired guanines of DNA: implications for irreversible stimulation of DNA cleavage

      NUCLEIC ACIDS RESEARCH
    5. Persson, R; Monari, M; Gobetto, R; Russo, A; Aime, S; Calhorda, MJ; Nordlander, E
      Synthesis and characterization of triosmium clusters containing the bidentate ligand Ph2PCH2CH2SMe: Detection of an isomerization reaction involving bridging and chelating ligand coordination modes

      ORGANOMETALLICS
    6. Kinjo, AR; Kidera, A; Nakamura, H; Nishikawa, K
      Physicochemical evaluation of protein folds predicted by threading

      EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    7. Sissi, C; Moro, S; Richter, S; Gatto, B; Menta, E; Spinelli, S; Krapcho, AP; Zunino, F; Palumbo, M
      DNA-interactive anticancer aza-anthrapyrazoles: Biophysical and biochemical studies relevant to the mechanism of action

      MOLECULAR PHARMACOLOGY
    8. Young, JA; Cook, RC
      Helix reversal motion in polyisocyanates

      MACROMOLECULES
    9. Bruni, P; Conti, C; Galeazzi, R; Tosi, G
      FT-IR study of anomeric pent-2-enopyranosides

      JOURNAL OF MOLECULAR STRUCTURE
    10. van Muijlwijk-Koezen, JE; Timmerman, H; Vollinga, RC; Kunzel, JFV; de Groote, M; Visser, S; Ijzerman, AP
      Thiazole and thiadiazole analogues as a novel class of adenosine receptor antagonists

      JOURNAL OF MEDICINAL CHEMISTRY
    11. Hase, Y
      Theoretical study of the force field and vibrational assignments of thioacetamide and its deuterated analogues

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    12. Pannier, M; Schadler, V; Schops, M; Wiesner, U; Jeschke, G; Spiess, HW
      Determination of ion cluster sizes and cluster-to-cluster distances in ionomers by four-pulse double electron electron resonance spectroscopy

      MACROMOLECULES
    13. Wang, MM; Cornett, B; Nettles, J; Liotta, DC; Snyder, JP
      The oxetane ring in taxol

      JOURNAL OF ORGANIC CHEMISTRY
    14. Hiramatsu, Y; Tsukida, T; Nakai, Y; Inoue, Y; Kondo, H
      Study on selectin blocker. 8. Lead discovery of a non-sugar antagonist using a 3D-pharmacophore model

      JOURNAL OF MEDICINAL CHEMISTRY
    15. Baraldi, PG; Cacciari, B; Romagnoli, R; Spalluto, G; Moro, S; Klotz, KN; Leung, E; Varani, K; Gessi, S; Merighi, S; Borea, PA
      Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as highly potent and selective human A(3) adenosine receptor antagonists: Influence of thechain at the N-8 pyrazole nitrogen

      JOURNAL OF MEDICINAL CHEMISTRY
    16. Huang, Q; He, XH; Ma, CR; Liu, RY; Yu, S; Dayer, CA; Wenger, GR; McKernan, R; Cook, JM
      Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha 1 beta 3 gamma 2, alpha 5 beta 3 gamma 2, and alpha 6 beta 3 gamma 2) via a comprehensive ligand-mapping approach

      JOURNAL OF MEDICINAL CHEMISTRY
    17. Cundari, TR; Fu, WT
      Genetic algorithm optimization of a molecular mechanics force field for technetium

      INORGANICA CHIMICA ACTA
    18. Zagotto, G; Supino, R; Favini, E; Moro, S; Palumbo, M
      New 1,4-anthracene-9,10-dione derivatives as potential anticancer agents

      FARMACO
    19. Saiki, T; Akine, S; Goto, K; Tokitoh, N; Kawashima, T; Okazaki, R
      Structural elucidation of 1,3-phenylenebis(methylene)-bridged calix[6]arenes with four uncapped hydroxy groups

      BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
    20. Arboleda, PH; Loppnow, GR
      Raman spectroscopy as a discovery tool in carbohydrate chemistry

      ANALYTICAL CHEMISTRY
    21. Chen, B; Siepmann, JI
      Transferable potentials for phase equilibria. 3. Explicit-hydrogen description of normal alkanes

      JOURNAL OF PHYSICAL CHEMISTRY B
    22. Semus, SF
      A novel hydropathic intermolecular field analysis (HIFA) for the prediction of ligand-receptor binding affinities

      MEDICINAL CHEMISTRY RESEARCH
    23. Mittag, EJ; Herndon, WC
      Group 14 homologues of hydrocarbons

      PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
    24. Rapp, CS; Friesner, RA
      Prediction of loop geometries using a generalized born model of solvation effects

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    25. Halgren, TA
      MMFF VI. MMFF94s option for energy minimization studies

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    26. Bush, BL; Bayly, CI; Halgren, TA
      Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    27. Tanner, D; Hagberg, L; Poulsen, A
      Combining the [2,3] sigmatropic rearrangement and ring-closing metathesis strategies for the synthesis of spirocyclic alkaloids. A short and efficient route to (+/-)-perhydrohistrionicotoxin.

      TETRAHEDRON
    28. Charifson, PS; Corkery, JJ; Murcko, MA; Walters, WP
      Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins

      JOURNAL OF MEDICINAL CHEMISTRY
    29. Drache, M; Weber, T; Schmidt-Naake, G
      Conformation analysis of poly(styrene-alt-maleic anhydride) in solvents

      ANGEWANDTE MAKROMOLEKULARE CHEMIE
    30. Rossi, I; Venturini, A; Zedda, A
      Modeling hindered-amine light stabilizer-promoted polymer stabilization: Computational insight into the mechanism for nitroxyl radical regeneration from aminoethers

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    31. KASCHNER R; HOHL D
      DENSITY-FUNCTIONAL THEORY AND BIOMOLECULES - A STUDY OF GLYCINE, ALANINE, AND THEIR OLIGOPEPTIDES

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    32. LAGANT P; VERGOTEN G; PETICOLAS WL
      ON THE USE OF ULTRAVIOLET RESONANCE RAMAN INTENSITIES TO ELABORATE MOLECULAR-FORCE FIELDS - APPLICATION TO NUCLEIC-ACID BASES AND AROMATIC AMINO-ACID-RESIDUES MODELS

      Biospectroscopy
    33. FRIESNER RA; BEACHY MD
      QUANTUM-MECHANICAL CALCULATIONS ON BIOLOGICAL-SYSTEMS

      Current opinion in structural biology
    34. TARAKESHWAR P; MANOGARAN S
      AN AB-INITIO STUDY OF PYRUVIC-ACID

      Journal of molecular structure. Theochem
    35. HAINO T; KATSUTANI Y; AKII H; FUKAZAWA Y
      ALLOSTERIC RECEPTOR-BASED ON MONODEOXYCALIX[4]ARENE CROWN-ETHER

      Tetrahedron letters
    36. 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
    37. TAKEUCHI Y; MARSHALL GR
      CONFORMATIONAL-ANALYSIS OF REVERSE-TURN CONSTRAINTS BY N-METHYLATION AND N-HYDROXYLATION OF AMIDE BONDS IN PEPTIDES AND NONPEPTIDE MIMETICS

      Journal of the American Chemical Society
    38. Artis, DR; Lipton, MA
      Conformations of thioamide-containing dipeptides: A computational study

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    39. BEST SA; MERZ KM; REYNOLDS CH
      GB SA-BASED CONTINUUM SOLVATION MODEL FOR OCTANOL/

      JOURNAL OF PHYSICAL CHEMISTRY B
    40. SCHAFER L; CAO M; RAMEK M; TEPPEN BJ; NEWTON SQ; SIAM K
      CONFORMATIONAL GEOMETRY FUNCTIONS - ADDITIVITY AND COOPERATIVE EFFECTS

      Journal of molecular structure
    41. GAVIRA JM; DELAFUENTE M; NAVARRO R; HERNANZ A
      NORMAL-COORDINATE ANALYSIS OF ACYCLOGUANOSINE

      Journal of molecular structure
    42. PALMO K; KRIMM S
      CHAIN ELASTIC-MODULUS OF POLYETHYLENE - A SPECTROSCOPICALLY DETERMINED FORCE-FIELD (SDFF) STUDY

      Journal of polymer science. Part B, Polymer physics
    43. DHAOUADI Z; GHOMI M; MOJZES P; TURPIN PY; CHINSKY L
      VIBRATIONAL-MODE ANALYSIS OF 2-AMINOADENINE AND ITS DEUTERATED SPECIES FROM RAMAN AND ULTRAVIOLET RESONANCE RAMAN DATA

      European biophysics journal
    44. ULICNY J; GHOMI M; TOMKOVA A; MISKOVSKY P; TURPIN PY; CHINSKY L
      VIBRATIONAL ANALYSIS AND MOLECULAR-FORCE FIELD OF HYPOXANTHINE AS DETERMINED FROM ULTRAVIOLET RESONANCE RAMAN-SPECTRA OF NATIVE AND DEUTERATED SPECIES

      European biophysics journal
    45. BELL AF; BARRON LD; HECHT L
      VIBRATIONAL RAMAN OPTICAL-ACTIVITY STUDY OF D-GLUCOSE

      Carbohydrate research
    46. SIPPL MJ
      BOLTZMANN PRINCIPLE, KNOWLEDGE-BASED MEAN FIELDS AND PROTEIN-FOLDING - AN APPROACH TO THE COMPUTATIONAL DETERMINATION OF PROTEIN STRUCTURES

      Journal of computer-aided molecular design


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/08/20 alle ore 02:59:28