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    1. Vorobjev, YN; Hermans, J
      Free energies of protein decoys provide insight into determinants of protein stability

      PROTEIN SCIENCE
    2. Yavari, I; Adib, B; Zare, K
      Ab initio study of conformational properties of (Z,E,Z)-cyclonona-1,3,5-triene

      JOURNAL OF CHEMICAL RESEARCH-S
    3. Luo, MB; Chen, YC; Huang, JH; Xu, JM
      Calculation of conformational entropy and free energy of polysilane chain

      CHINESE JOURNAL OF POLYMER SCIENCE
    4. Hayryan, S; Hu, CK; Hu, SY; Shang, RJ
      Multicanonical parallel simulations of proteins with continuous potentials

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    5. Chasse, GA; Chasse, KP; Kucsman, A; Torday, LL; Papp, JG
      Conformational potential energy surfaces of a Lycopene model

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    6. Freeman, F; Nguyen, T; Hehre, WJ
      A computational study of 4-alky1 equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides)

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    7. Santagata, LN; Suvire, FD; Enriz, RD
      Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    8. Freeman, F; Gomarooni, F; Hehre, WJ
      A computational study of conformers and rotamers of 3-substituted equatorial tetrahydro-2H-thiopyran-1-oxides (tetrahydrothiopyran-1-oxides, thiacyclohexane-1-oxides, thiane-1-oxides)

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    9. Breznik, M; Grdadolnik, SG; Giester, G; Leban, I; Kikelj, D
      Influence of chirality of the preceding acyl moiety on the cis/trans ratioof the proline peptide bond

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

      CHEMICAL PHYSICS LETTERS
    11. Inai, Y; Hirabayashi, T
      A helical arrangement of beta-substituents of dehydropeptides: Synthesis and conformational study of sequential nona- and dodecapeptides possessing (Z)-beta-(1-naphthyl)-dehydroalanine residues

      BIOPOLYMERS
    12. Vila, JA; Ripoll, DR; Scheraga, HA
      Influence of lysine content and pH on the stability of alanine-based copolypeptides

      BIOPOLYMERS
    13. Inai, Y; Oshikawa, T; Yamashita, M; Hirabayashi, T; Hirako, T
      Structural and conformational properties of (Z)-beta-(1-naphthyl)dehydroalanine residue

      BIOPOLYMERS
    14. Slusarz, R; Kazmierkiewicz, R; Lammek, B
      Theoretical conformational analysis of six arginine vasopressin analogs with the L-naphthylalanine in position 3

      JOURNAL OF PEPTIDE RESEARCH
    15. Petrey, D; Honig, B
      Free energy determinants of tertiary structure and the evaluation of protein models

      PROTEIN SCIENCE
    16. Gatchell, DW; Dennis, S; Vajda, S
      Discrimination of near-native protein structures from misfolded models by empirical free energy functions

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    17. Freeman, F; Po, HN; Hehre, WJ
      Molecular orbital calculations on the conformers of dihydrodioxins and of the conformational energies of 2-alkyl-4H-1,3-dioxins

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    18. Arnason, I; Thorarinsson, GK; Matern, E
      Conformations of silicon-containing rings. II a conformational study on silacyclohexane. Comparison of ab initio (HF, MP2), DFT, and molecular mechanics calculations. Conformational energy surface of silacyclohexane

      ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
    19. Bell, S; Drew, BR; Guirgis, GA; Durig, JR
      The far infrared spectrum, ab initio calculations and conformational energy differences of 1-butene

      JOURNAL OF MOLECULAR STRUCTURE
    20. Imawaka, N; Tanaka, M; Suemune, H
      The first fully planar C-5-conformation of homooligopeptides prepared froma chiral alpha-ethylated alpha,alpha-disubstituted amino acid: (S)-butylethylglycine (=(2S)-2-amino-2-ethylhexanoic acid)

      HELVETICA CHIMICA ACTA
    21. Inai, Y; Kurashima, S; Hirabayashi, T; Yokota, K
      Synthesis of Delta(E)Phe-containing tripeptide via photoisomerization and its conformation in solution

      BIOPOLYMERS
    22. Rossi, F; Bucci, E; Isernia, C; Saviano, M; Iacovino, R; Romanelli, A; Di Lello, P; Grimaldi, M; Montesarchio, D; De Napoli, L; Piccialli, G; Benedetti, E
      Effect of lengthening of peptide backbone by insertion of chiral beta-homoamino acid residues: Conformational behavior of linear peptides containingalternating L-leucine and beta-homo L-leucine residues

      BIOPOLYMERS
    23. Lombardi, A; De Simone, G; Galdiero, S; Nastri, F; Di Costanzo, L; Makihiara, K; Yamada, T; Pavone, V
      The crystal structure of Afc-containing peptides

      BIOPOLYMERS
    24. Vijayalakshmi, S; Rao, RB; Karle, IL; Balaram, P
      Comparison of helix-stabilizing effects of alpha,alpha-dialkyl glycines with linear and cycloalkyl side chains

      BIOPOLYMERS
    25. Kollman, PA; Massova, I; Reyes, C; Kuhn, B; Huo, SH; Chong, L; Lee, M; Lee, T; Duan, Y; Wang, W; Donini, O; Cieplak, P; Srinivasan, J; Case, DA; Cheatham, TE
      Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models

      ACCOUNTS OF CHEMICAL RESEARCH
    26. 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
    27. Wang, Y; Kuczera, K
      Conformational free energy surface of the linear DPDPE peptide: cost of pre-organization for disulfide bond formation

      THEORETICAL CHEMISTRY ACCOUNTS
    28. Kaul, R; Balaram, P
      Stereochemical control of peptide folding

      BIOORGANIC & MEDICINAL CHEMISTRY
    29. Kim, MK; Kang, YK
      Positional preference of proline in alpha-helices

      PROTEIN SCIENCE
    30. Freeman, F; Phornvoranunt, A; Hehre, WJ
      Molecular orbital study of the conformational energies (-Delta G degrees or A values) of 2-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes)

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    31. Ma, BY; Nussinov, R
      Explicit and implicit water simulations of a beta-hairpin peptide

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    32. Vorobjev, YN; Hermans, J
      ES/IS: Estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model

      BIOPHYSICAL CHEMISTRY
    33. Halgren, TA
      MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interactionenergies and geometries

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

      EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    35. Inai, Y; Ashitaka, S; Hirabayashi, T
      A study of chain-length effect on helical screw sense in peptides having an N-terminal L-Leu residue

      POLYMER JOURNAL
    36. Inai, Y; Kurokawa, Y; Hirabayashi, T
      Terminal effect of chiral residue on helical screw sense in achiral peptides

      BIOPOLYMERS
    37. San Biagio, PL; Martorana, V; Bulone, D; Palma-Vittorelli, MB; Palma, MU
      Solvent-induced free energy landscape and solute-solvent dynamic coupling in a multielement solute

      BIOPHYSICAL JOURNAL
    38. BREHM L; FRYDENVANG K; KROGSGAARDLARSEN P; LILJEFORS T
      CRYSTAL-STRUCTURE AND QUANTUM-CHEMICAL AB-INITIO CALCULATIONS OF IBOTENIC ACID, AN EXCITATORY AMINO-ACID RECEPTOR AGONIST

      Structural chemistry
    39. JANSSEN LHM
      CONFORMATIONAL FLEXIBILITY AND RECEPTOR INTERACTION

      Bioorganic & medicinal chemistry
    40. IVANOV J; MEKENYAN O; BRADBURY SP; SCHUURMANN G
      A KINETIC-ANALYSIS OF THE CONFORMATIONAL FLEXIBILITY OF STEROID-HORMONES

      Quantitative structure-activity relationships
    41. Freeman, F; Phornvoranunt, A; Hehre, WJ
      Ab initio molecular orbital study of the conformational energies (-Delta Gdegrees or A values) of 4-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes)

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    42. ISHIDA H; JOCHI Y; KIDERA A
      DYNAMIC STRUCTURE OF SUBTILISIN-EGLIN-C COMPLEX STUDIED BY NORMAL-MODE ANALYSIS

      Proteins
    43. ARNASON I; THORARINSSON GK; MATERN E
      CONFORMATIONS OF SILICON-CONTAINING RINGS PART 1 - A CONFORMATIONAL STUDY ON 1,3,5-TRISILACYCLOHEXANE - COMPARISON OF AB-INITIO, SEMIEMPIRICAL, AND MOLECULAR MECHANICS CALCULATIONS - CONFORMATIONAL ENERGY SURFACE OF 1,3,5-TRISILACYCLOHEXANE

      Journal of molecular structure. Theochem
    44. PULITI R; MATTIA CA; DESENA C; BARONE G
      N-ACETYL-L-PROLYL-L-LEUCYL-GLYCINAMIDE - X-RAY STRUCTURE, ENERGY MINIMIZATION AND CALORIMETRIC DETERMINATIONS

      Journal of molecular structure
    45. HAO MH; SCHERAGA HA
      MOLECULAR MECHANISMS FOR COOPERATIVE FOLDING OF PROTEINS

      Journal of Molecular Biology
    46. HE SQ; SCHERAGA HA
      BROWNIAN DYNAMICS SIMULATIONS OF PROTEIN-FOLDING

      The Journal of chemical physics
    47. LEE J; SCHERAGA HA; RACKOVSKY S
      CONFORMATIONAL-ANALYSIS OF THE 20-RESIDUE MEMBRANE-BOUND PORTION OF MELITTIN BY CONFORMATIONAL SPACE ANNEALING

      Biopolymers
    48. RIPOLL DR; LIWO A; SCHERAGA HA
      NEW DEVELOPMENTS OF THE ELECTROSTATICALLY DRIVEN MONTE-CARLO METHOD -TEST ON THE MEMBRANE-BOUND PORTION OF MELITTIN

      Biopolymers
    49. BREHM L; FRYDENVANG K; HANSEN LM; NORRBY PO; KROGSGAARDLARSEN P; LILJEFORS T
      STRUCTURAL FEATURES OF MUSCIMOL, A POTENT GABA(A) RECEPTOR AGONIST, CRYSTAL-STRUCTURE AND QUANTUM-CHEMICAL AB-INITIO CALCULATIONS

      Structural chemistry
    50. LI H; TEJERO R; MONLEON D; BASSOLINOKLIMAS D; ABATESHEN C; BRUCCOLERI RE; MONTELIONE GT
      HOMOLOGY MODELING USING SIMULATED ANNEALING OF RESTRAINED MOLECULAR-DYNAMICS AND CONFORMATIONAL SEARCH CALCULATIONS WITH CONGEN - APPLICATION IN PREDICTING THE 3-DIMENSIONAL STRUCTURE OF MURINE HOMEODOMAIN MSX-1

      Protein science
    51. COWIE JMG; HARRIS S; MCEWEN IJ
      PHYSICAL AGING IN POLY(VINYL ACETATE) .1. ENTHALPY RELAXATION

      Journal of polymer science. Part B, Polymer physics
    52. MAZUR AK
      OUASI-HAMILTONIAN EQUATIONS OF MOTION FOR INTERNAL COORDINATE MOLECULAR-DYNAMICS OF POLYMERS

      Journal of computational chemistry
    53. CORNELL WD; GOULD IR; KOLLMAN PA
      THE EFFECTS OF BASIS-SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES - A HARTREE-FOCK AND MP2 STUDY

      Journal of molecular structure. Theochem
    54. INAI Y; SAKAKURA Y; HIRABAYASHI T
      DESIGN OF NOVEL HELICAL BACKBONE - CONFORMATIONAL ENERGY CALCULATION AND SYNTHESIS OF SEQUENTIAL POLYPEPTIDE CONTAINING Z-DEHYDROPHENYLALANINE AND PROLINE RESIDUES

      Polymer Journal
    55. GROHENS Y; BROGLY M; LABBE C; SCHULTZ J
      INTERFACIAL CONFORMATION ENERGIES OF STEREOREGULAR POLY(METHYL METHACRYLATE) BY INFRARED REFLECTION-ABSORPTION SPECTROSCOPY

      Polymer
    56. NAPOLITANO R; PIROZZI B
      ANALYSIS OF MODES OF PACKING OF THE MOST STABLE FORM OF SYNDIOTACTIC POLYPROPYLENE

      Polymer
    57. LIN DH; MATSUMOTO A; GO N
      NORMAL-MODE ANALYSIS OF A DOUBLE-STRANDED DNA DODECAMER D(CGCGAATTCGCG)

      The Journal of chemical physics
    58. STRASSLER C; LINDEN A; HEIMGARTNER H
      NOVEL HETEROSPIROCYCLIC 3-AMINO-2H-AZIRINES AS SYNTHONS FOR HETEROCYCLIC ALPHA-AMINO-ACIDS

      Helvetica Chimica Acta
    59. TUNITSKAYA VL; RUSAKOVA EE; PADYUKOVA NS; ERMOLINSKY BS; CHERNYI AA; KOCHETKOV SN; LYSOV YP; MIKHAILOV SN
      SUBSTRATE PROPERTIES OF C'-METHYL UTP DERIVATIVES IN T7 RNA-POLYMERASE REACTIONS - EVIDENCE FOR N-TYPE NTP CONFORMATION

      FEBS letters
    60. OBRECHT D; ALTORFER M; BOHDAL U; DALY J; HUBER W; LABHARDT A; LEHMANN C; MULLER K; RUFFIEUX R; SCHONHOLZER P; SPIEGLER C; ZUMBRUNN C
      DESIGN AND SYNTHESIS OF NOVEL NONPOLAR HOST PEPTIDES FOR THE DETERMINATION OF THE 3(10)-HELIX AND ALPHA-HELIX COMPATIBILITIES OF ALPHA-AMINO-ACID BUILDING-BLOCKS - AN ASSESSMENT OF ALPHA,ALPHA-DISUBSTITUTED GLYCINES

      Biopolymers
    61. KELLER P; BRADACZEK H
      PM3 AND AM1 STUDY ON BETA-N-ACETYL-MURAMIC ACID AND 3 MUREIN RELATED DERIVATIVES

      JOURNAL OF MOLECULAR MODELING
    62. EISENHABER F
      HYDROPHOBIC REGIONS ON PROTEIN SURFACES - DERIVATION OF THE SOLVATIONENERGY FROM THEIR AREA DISTRIBUTION IN CRYSTALLOGRAPHIC PROTEIN STRUCTURES

      Protein science
    63. TEJERO R; BASSOLINOKLIMAS D; BRUCCOLERI RE; MONTELIONE GT
      SIMULATED ANNEALING WITH RESTRAINED MOLECULAR-DYNAMICS USING CONGEN -ENERGY REFINEMENT OF THE NMR SOLUTION STRUCTURES OF EPIDERMAL AND TYPE-ALPHA TRANSFORMING GROWTH-FACTORS

      Protein science
    64. BANCI L; BERTINI I; BREN KL; CREMONINI MA; GRAY HB; LUCHINAT C; TURANO P
      THE USE OF PSEUDOCONTACT SHIFTS TO REFINE SOLUTION OF PARAMAGNETIC METALLOPROTEINS - MET80ALA CYANO-CYTOCHROME-C AS AN EXAMPLE

      JBIC. Journal of biological inorganic chemistry
    65. ALLEN FH; HARRIS SE; TAYLOR R
      COMPARISON OF CONFORMER DISTRIBUTIONS IN THE CRYSTALLINE STATE WITH CONFORMATIONAL ENERGIES CALCULATED BY AB-INITIO TECHNIQUES

      Journal of computer-aided molecular design
    66. KOMBO DC; NEMETHY G; GIBSON KD; ROSS JBA; RACKOVSKY S; SCHERAGA HA
      EFFECTS ON PROTEIN-STRUCTURE AND FUNCTION OF REPLACING TRYPTOPHAN WITH 5-HYDROXYTRYPTOPHAN - SINGLE-TRYPTOPHAN MUTANTS OF THE N-TERMINAL DOMAIN OF THE BACTERIOPHAGE-LAMBDA REPRESSOR

      Journal of protein chemistry
    67. EISENHABER F; ARGOS P
      HYDROPHOBIC REGIONS ON PROTEIN SURFACES - DEFINITION BASED ON HYDRATION SHELL STRUCTURE AND A QUICK METHOD FOR THEIR COMPUTATION

      Protein engineering
    68. 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
    69. PEREZ JJ; CENTENO NB
      NEW INSIGHTS INTO THE MULTIPLE MINIMA PROBLEM

      Journal of molecular structure. Theochem
    70. FEIGEL M
      PHENYL ROTATION IN DIPHENYLETHER AND DIPHENYLMETHANE CALCULATED WITH AB-INITIO METHODS

      Journal of molecular structure. Theochem
    71. INAI Y; HASEGAWA K; HIRABAYASHI T; YOKOTA K
      CHAIN-LENGTH EFFECTS ON HELIX-FORMING TENDENCY IN SEQUENTIAL PEPTIDESCONTAINING 2-DEHYDROPHENYLALANINE RESIDUES

      Polymer Journal
    72. ISHIKAWA Y; OKA M; HAYASHI T; NISHINAGA A
      THEORETICAL-ANALYSIS OF ALPHA-HELIX HAIRPIN STRUCTURES CONSTRUCTED BY2 RIGHT-HANDED ALPHA-HELICES

      Polymer Journal
    73. LI XF; YANG XZ; ZHAO DL; QIAN RY
      CONFIGURATION ENERGY CALCULATION OF SINGLE-CHAIN POLYSTYRENE GLASS SPHERE BY THE RIS-MONTE CARLO METHOD

      Polymer
    74. KOMBO DC; NEMETHY G; GIBSON KD; RACKOVSKY S; SCHERAGA HA
      COMPUTER-AIDED DISCRIMINATION BETWEEN ACTIVE AND INACTIVE MUTANTS OF THE N-TERMINAL DOMAIN OF THE BACTERIOPHAGE-LAMBDA REPRESSOR

      Journal of Molecular Biology
    75. GERSHONOV E; GRANOTH R; TZEHOVAL E; GAONI Y; FRIDKIN M
      1-AMINOCYCLOBUTANECARBOXYLIC ACID-DERIVATIVES AS NOVEL STRUCTURAL ELEMENTS IN BIOACTIVE PEPTIDES - APPLICATION TO TUFTSIN ANALOGS

      Journal of medicinal chemistry
    76. BENEDETTI E
      X-RAY CRYSTALLOGRAPHY OF PEPTIDES - THE CONTRIBUTIONS OF THE ITALIAN LABORATORIES

      Biopolymers
    77. EISENHABER F; PERSSON B; ARGOS P
      PROTEIN-STRUCTURE PREDICTION - RECOGNITION OF PRIMARY, SECONDARY, ANDTERTIARY STRUCTURAL FEATURES FROM AMINO-ACID-SEQUENCE

      Critical reviews in biochemistry and molecular biology
    78. HAMMEN PK; SCHOLTZ JM; ANDERSON JW; WAYGOOD EB; KLEVIT RE
      INVESTIGATION OF A SIDE-CHAIN SIDE-CHAIN HYDROGEN-BOND BY MUTAGENESIS, THERMODYNAMICS, AND NMR-SPECTROSCOPY

      Protein science
    79. MURESAN S; BOLOGA C; CHIRIAC A; JASTORFF B; KURUNCZI L; SIMON Z
      COMPARATIVE STRUCTURE-AFFINITY RELATIONS BY MTD FOR BINDING OF CYCLOADENOSINE MONOPHOSPHATE DERIVATIVES TO PROTEIN-KINASE RECEPTORS

      Quantitative structure-activity relationships
    80. KAZMIERKIEWICZ R; LIWO A; LAMMEK B
      THEORETICAL CONFORMATIONAL-ANALYSIS OF 3 VASOPRESSIN ANTAGONISTS WITHA MODIFIED CYCLOHEXYL RING IN THE FIRST THIOACID RESIDUE

      International journal of peptide & protein research
    81. BRANDTRAUF PW; PINCUS MR; MONACO R
      CONFORMATION OF THE TRANSMEMBRANE DOMAIN OF THE C-ERBB-2 ONCOGENE-ENCODED PROTEIN IN ITS MONOMERIC AND DIMERIC STATES

      Journal of protein chemistry
    82. COITINO EL; TOMASI J; CAMMI R
      ON THE EVALUATION OF THE SOLVENT POLARIZATION APPARENT CHARGES IN THEPOLARIZABLE CONTINUUM MODEL - A NEW FORMULATION

      Journal of computational chemistry
    83. GOLOVANOV AP; ARSENIEV AS
      REFINEMENT OF THE SPATIAL STRUCTURE OF NE UROTOXIN-II FROM NAJA-NAJA-OXIANA VENOM

      Bioorganiceskaa himia
    84. NGUYEN MT; DEWAEL K; ZEEGERSHUYSKENS T
      THEORETICAL CHARACTERIZATION OF FREE N-(METHOXYCARBONYL)GLYCINE AND ITS INTERACTION WITH WATER

      Journal of physical chemistry
    85. VITAGLIANO L; NEMETHY G; ZAGARI A; SCHERAGA HA
      STRUCTURE OF THE TYPE-I COLLAGEN MOLECULE BASED ON CONFORMATIONAL ENERGY COMPUTATIONS - THE TRIPLE-STRANDED HELIX AND THE N-TERMINAL TELOPEPTIDE

      Journal of Molecular Biology
    86. LAI YH
      CONFORMATIONAL BEHAVIOR OF RIGID AND DANCING (1,3)(1,4)CYCLOPHANES

      Journal of the Chinese Chemical Society
    87. POLOWIN J; POE R; BAIRD MC
      EXTENSIONS OF THE APPLICABILITY OF THE MMX MOLECULAR MODELING SYSTEM TO DETERMINATION OF BARRIERS TO ROTATION OF PI-BONDED LIGANDS

      Canadian journal of chemistry
    88. LANGLET J; GRESH N; GIESSNERPRETTRE C
      A MOLECULAR MECHANICS CONTINUUM REACTION FIELD INVESTIGATION OF THE INTERACTIONS BETWEEN POLAR AMINO-ACID SIDE-CHAINS IN WATER AND ORGANIC-SOLVENTS

      Biopolymers
    89. PATERLINI MG; NEMETHY G; SCHERAGA HA
      THE ENERGY OF FORMATION OF INTERNAL LOOPS IN TRIPLE-HELICAL COLLAGEN POLYPEPTIDES

      Biopolymers
    90. HE ZR; YANG XZ; XU M
      CONFORMATIONAL ENERGY AND CONFIGURATIONAL STATISTICS OF POLYACRYLAMIDE

      Chinese Science Bulletin
    91. MULLALEY A; TAYLOR R
      CONFORMATIONAL PROPERTIES OF PYRETHROIDS

      Journal of computer-aided molecular design
    92. ROOS HM; VANROOYEN PH
      POTENTIAL-ENERGY CALCULATIONS OF TERMINALLY BLOCKED TETRAPEPTIDES FROM THE 3RD LOOP OF SHORT-CHAIN SNAKE-VENOM NEUROTOXINS

      International journal of peptide & protein research
    93. PINCUS MR; CARTY RP; MILLER JL
      STRUCTURAL IMPLICATIONS OF THE SUBSTITUTION OF VAL FOR MET AT RESIDUE-239 IN THE ALPHA-CHAIN OF HUMAN PLATELET GLYCOPROTEIN IB

      Journal of protein chemistry
    94. LIWO A; OLDZIEJ S; CIARKOWSKI J; KUPRYSZEWSKI G; PINCUS MR; WAWAK RJ; RACKOVSKY S; SCHERAGA HA
      PREDICTION OF CONFORMATION OF RAT GALANIN IN THE PRESENCE AND ABSENCEOF WATER WITH THE USE OF MONTE-CARLO METHODS AND THE ECEPP 3 FORCE-FIELD/

      Journal of protein chemistry
    95. BRANDTRAUF PW; MONACO R; PINCUS MR
      CONFORMATION OF THE TRANSMEMBRANE DOMAIN OF THE EPIDERMAL GROWTH-FACTOR RECEPTOR

      Journal of protein chemistry
    96. 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
    97. GIBSON KD; SCHERAGA HA
      A RAPID AND EFFICIENT ALGORITHM FOR PACKING POLYPEPTIDE-CHAINS BY ENERGY MINIMIZATION

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

      Journal of computational chemistry
    99. SHAITAN KV
      CONFORMATIONAL DYNAMICS AND NEW APPROACHES TO THE PHYSICAL-MECHANISMSOF ELEMENTARY ACTS OF MASS-TRANSFER, ENERGY TRANSFORMATION, AND INFORMATION-TRANSMISSION IN BIOLOGICAL MACROMOLECULAR STRUCTURES

      Molecular biology
    100. DAVIS JT; HIRANI S; BARTLETT C; REID BR
      H-1-NMR STUDIES ON AN ASN-LINKED GLYCOPEPTIDE - GLCNAC-1 C2-N2 BOND IS RIGID IN H2O

      The Journal of biological chemistry


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Documento generato il 29/05/20 alle ore 13:56:42