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    1. Lindahl, E; Hess, B; van der Spoel, D
      GROMACS 3.0: a package for molecular simulation and trajectory analysis

      JOURNAL OF MOLECULAR MODELING
    2. Schwieters, CD; Clore, GM
      The VMD-XPLOR visualization package for NMR structure refinement

      JOURNAL OF MAGNETIC RESONANCE
    3. Xu, Y; Jablonsky, MJ; Jackson, PL; Braun, W; Krishna, NR
      Automatic assignment of NOESY cross peaks and determination of the proteinstructure of a new world scorpion neurotoxin using NOAH/DIAMOD

      JOURNAL OF MAGNETIC RESONANCE
    4. Xia, YL; Man, D; Zhu, G
      3D H-aro-NOESY-CH3NH and C-aro-NOESY-CH3NH experiments for double labeled proteins

      JOURNAL OF BIOMOLECULAR NMR
    5. Savarin, P; Zinn-Justin, S; Gilquin, B
      Variability in automated assignment of NOESY spectra and three-dimensionalstructure determination: A test case on three small disulfide-bonded proteins

      JOURNAL OF BIOMOLECULAR NMR
    6. Capili, AD; Schultz, DC; Rauscher, FJ; Borden, KLB
      Solution structure of the PHD domain from the KAP-1 corepressor: structural determinants for PHD, RING and LIM zinc-binding domains

      EMBO JOURNAL
    7. Walters, KJ; Ferentz, AE; Hare, BJ; Hidalgo, P; Jasanoff, A; Matsuo, H; Wagner, G
      Characterizing protein-protein complexes and oligomers by nuclear magneticresonance spectroscopy

      NUCLEAR MAGNETIC RESONANCE OF BIOLOGICAL MACROMOLECULES, PT B
    8. Allen, M; Varani, L; Varani, G
      Nuclear magnetic resonance methods to study structure and dynamics of RNA-protein complexes

      NUCLEAR MAGNETIC RESONANCE OF BIOLOGICAL MACROMOLECULES, PT B
    9. Scherf, T; Kasher, R; Balass, M; Fridkin, M; Fuchs, S; Katchalski-Katzir, E
      A beta-hairpin structure in a 13-mer peptide that binds alpha-bungarotoxinwith high affinity and neutralizes its toxicity

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    10. Terada, T; Shirouzu, M; Fukumori, Y; Fujimori, F; Ito, Y; Kigawa, T; Yokoyama, S; Uchida, T
      Solution structure of the human parvulin-like peptidyl prolyl cis/trans isomerase, hPar14

      JOURNAL OF MOLECULAR BIOLOGY
    11. Blond, A; Cheminant, M; Segalas-Milazzo, I; Peduzzi, J; Barthelemy, M; Goulard, C; Salomon, R; Moreno, F; Farias, R; Rebuffat, S
      Solution structure of microcin J25, the single macrocyclic antimicrobial peppide from Escherichia coli

      EUROPEAN JOURNAL OF BIOCHEMISTRY
    12. Groth, M; Malicka, J; Rodziewicz-Motowidlo, S; Czaplewski, C; Klaudel, L; Wiczk, W; Liwo, A
      Determination of conformational equilibrium of peptides in solution by NMRspectroscopy and theoretical conformational analysis: Application to the calibration of mean-field solvation models

      BIOPOLYMERS
    13. Sompornpisut, P; Liu, YS; Perozo, E
      Calculation of rigid-body conformational changes using restraint-driven Cartesian transformations

      BIOPHYSICAL JOURNAL
    14. Constantine, KL
      Evaluation of site-directed spin labeling for characterizing protein-ligand complexes using simulated restraints

      BIOPHYSICAL JOURNAL
    15. Daura, X; Gademann, K; Schafer, H; Jaun, B; Seebach, D; van Gunsteren, WF
      The beta-peptide hairpin in solution: Conformational study of a beta-hexapeptide in methanol by NMR spectroscopy and MD simulation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    16. Poveda, A; Asensio, JL; Polat, T; Bazin, H; Linhardt, RJ; Jimenez-Barbero, J
      Conformational behavior of C-glycosyl analogues of sialyl-alpha-(2 -> 3)-galactose

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    17. Altieri, AS; Mazzulla, MJ; Horita, DA; Coats, RH; Wingfield, PT; Das, A; Court, DL; Byrd, RA
      The structure of the transcriptional antiterminator NusB from Escherichia coli

      NATURE STRUCTURAL BIOLOGY
    18. Thompson, GS; Leung, YC; Ferguson, SJ; Radford, SE; Redfield, C
      The structure and dynamics in solution of Cu(I) pseudoazurin from Paracoccus pantotrophus

      PROTEIN SCIENCE
    19. Bowers, PM; Strauss, CEM; Baker, D
      De novo protein structure determination using sparse NMR data

      JOURNAL OF BIOMOLECULAR NMR
    20. Gronwald, W; Kirchhofer, R; Gorler, A; Kremer, W; Ganslmeier, B; Neidig, KP; Kalbitzer, HR
      RFAC, a program for automated NMR R-factor estimation

      JOURNAL OF BIOMOLECULAR NMR
    21. O'Donoghue, SI; Chang, XQ; Abseher, R; Nilges, M; Led, JJ
      Unraveling the symmetry ambiguity in a hexamer: Calculation of the R-6 human insulin structure

      JOURNAL OF BIOMOLECULAR NMR
    22. Gorler, A; Ulyanov, NB; James, TL
      Determination of the populations and structures of multiple conformers in an ensemble from NMR data: Multiple-copy refinement of nucleic acid structures using floating weights

      JOURNAL OF BIOMOLECULAR NMR
    23. Vendruscolo, M; Domany, E
      Protein folding using contact maps

      VITAMINS AND HORMONES - ADVANCES IN RESEARCH AND APPLICATIONS, VOL 58
    24. Bayer, P; Varani, L; Varani, G
      Nuclear magnetic resonance methods to study RNA-protein complexes

      RNA-LIGAND INTERACTIONS PT A
    25. Liu, ZH; Sun, CH; Olejniczak, ET; Meadows, RP; Betz, SF; Oost, T; Herrmann, J; Wu, JC; Fesik, SW
      Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain

      NATURE
    26. Cierpicki, T; Otlewski, J
      Determination of a high precision structure of a novel protein, Linum usitatissimum trypsin inhibitor (LUTI), using computer-aided assignment of NOESY cross-peaks

      JOURNAL OF MOLECULAR BIOLOGY
    27. Legge, GB; Kriwacki, RW; Chung, J; Hommel, U; Ramage, P; Case, DA; Dyson, HJ; Wright, PE
      NMR solution structure of the inserted domain of human leukocyte function associated antigen-1

      JOURNAL OF MOLECULAR BIOLOGY
    28. Sun, CH; Cai, ML; Meadows, RP; Xu, N; Gunasekera, AH; Herrmann, J; Wu, JC; Fesik, SW
      NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP

      JOURNAL OF BIOLOGICAL CHEMISTRY
    29. Pfeifer, ME; Moehle, K; Linden, A; Robinson, JA
      Synthesis and solution conformation of beta-hairpin mimetics utilizing a template derived from (2S,3R,4R)-diaminoproline

      HELVETICA CHIMICA ACTA
    30. McManus, AM; Dawson, NF; Wade, JD; Carrington, LE; Winzor, DJ; Craik, DJ
      Three-dimensional structure of RK-1: A novel alpha-defensin peptide

      BIOCHEMISTRY
    31. Simmerling, C; Lee, MR; Ortiz, AR; Kolinski, A; Skolnick, J; Kollman, PA
      Combining MONSSTER and LES/PME to predict protein structure from amino acid sequence: Application to the small protein CMTI-1

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    32. Demene, H; Sugar, IP
      Protein conformation and dynamics. Effects of crankshaft motions on H-1 NMR cross-relaxation effects

      JOURNAL OF PHYSICAL CHEMISTRY A
    33. 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
    34. Johnson, EC; Lazar, GA; Desjarlais, JR; Handel, TM
      Solution structure and dynamics of a designed hydrophobic core variant of ubiquitin

      STRUCTURE WITH FOLDING & DESIGN
    35. Polshakov, VI; Birdsall, B; Frenkiel, TA; Gargaro, AR; Feeney, J
      Structure and dynamics in solution of the complex of Lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate

      PROTEIN SCIENCE
    36. Lazar, GA; Johnson, EC; Desjarlais, JR; Handel, TM
      Rotamer strain as a determinant of protein structural specificity

      PROTEIN SCIENCE
    37. Groth, M; Malicka, J; Czaplewski, C; Oldziej, S; Lankiewicz, L; Wiczk, W; Liwo, A
      Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy - Application to DNS1-c-[D-A(2)bu(2), Trp(4),Leu(5)]-enkephalin and DNS1-c-[D-A(2)bu(2), Trp(4), d-Leu(5)]enkephalin

      JOURNAL OF BIOMOLECULAR NMR
    38. Kemmink, J; Dijkstra, K; Mariani, M; Scheek, RM; Penka, E; Nilges, M; Darby, NJ
      The structure in solution of the b domain of protein disulfide isomerase

      JOURNAL OF BIOMOLECULAR NMR
    39. Fraternali, F; Amodeo, P; Musco, G; Nilges, M; Pastore, A
      Exploring protein interiors: The role of a buried histidine in the KH module fold

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    40. Gilquin, B; Lecoq, A; Desne, F; Guenneugues, M; Zinn-Justin, S; Menez, A
      Conformational and functional variability supported by the BPTI fold: Solution structure of the Ca2+ channel blocker calcicludine

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    41. Young, H; Roongta, V; Daly, TJ; Mayo, KH
      NMR structure and dynamics of monomeric neutrophil-activating peptide 2

      BIOCHEMICAL JOURNAL
    42. Chi, SW; Ayed, A; Arrowsmith, CH
      Solution structure of a conserved C-terminal domain of p73 with structuralhomology to the SAM domain

      EMBO JOURNAL
    43. Baysal, C; Meirovitch, H
      Efficiency of simulated annealing for peptides with increasing geometricalrestrictions

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    44. Brunger, AT; Adams, PD; Rice, LM
      Annealing in crystallography: a powerful optimization tool

      PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY
    45. McManus, AM; Nielsen, KJ; Marcus, JP; Harrison, SJ; Green, JL; Manners, JM; Craik, DJ
      MiAMP1, a novel protein from Macadamia integrifolia adopts a Greek key beta-barrel fold unique amongst plant antimicrobial proteins

      JOURNAL OF MOLECULAR BIOLOGY
    46. Standley, DM; Eyrich, VA; Felts, AK; Friesner, RA; McDermott, AE
      A branch and bound algorithm for protein structure refinement from sparse NMR data sets

      JOURNAL OF MOLECULAR BIOLOGY
    47. Daly, NL; Koltay, A; Gustafson, KR; Boyd, MR; Casas-Finet, JR; Craik, DJ
      Solution structure by NMR of circulin A: A macrocyclic knotted peptide having anti-HIV activity

      JOURNAL OF MOLECULAR BIOLOGY
    48. Gehrmann, J; Daly, NL; Alewood, PF; Craik, DJ
      Solution structure of alpha-conotoxin ImI by H-1 nuclear magnetic resonance

      JOURNAL OF MEDICINAL CHEMISTRY
    49. Finch, AM; Wong, AK; Paczkowski, NJ; Wadi, SK; Craik, DJ; Fairlie, DP; Taylor, SM
      Low-molecular-weight peptidic and cyclic antagonists of the receptor for the complement factor C5a

      JOURNAL OF MEDICINAL CHEMISTRY
    50. Tang, KES; Dill, KA
      How experiments see fluctuations of native proteins: Perspective from an exact model

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    51. Wilce, JA; Salvatore, D; Wade, JD; Craik, DJ
      H-1-NMR structural studies of a cystine-linked peptide containing residues71-93 of transthyretin and effects of a Ser84 substitution implicated in familial amyloidotic polyneuropathy

      EUROPEAN JOURNAL OF BIOCHEMISTRY
    52. Marques, HM; Brown, KL
      The structure of cobalt corrinoids based on molecular mechanics and NOE-restrained molecular mechanics and dynamics simulations

      COORDINATION CHEMISTRY REVIEWS
    53. Mizoue, LS; Bazan, JF; Johnson, EC; Handel, TM
      Solution structure and dynamics of the CX3C chemokine domain of fractalkine and its interaction with an N-terminal fragment of CX(3)CR1

      BIOCHEMISTRY
    54. Sharon, M; Oren, Z; Shai, Y; Anglister, J
      2D-NMR and ATR-FTIR study of the structure of a cell-selective diastereomer of melittin and its orientation in phospholipids

      BIOCHEMISTRY
    55. Chang, SL; Wallar, BJ; Lipscomb, JD; Mayo, KH
      Solution structure of component B from methane monooxygenase derived through heteronuclear NMR and molecular modeling

      BIOCHEMISTRY
    56. Asensio, JL; Canada, FJ; Garcia-Herrero, A; Murillo, MT; Fernandez-Mayoralas, A; Johns, BA; Kozak, J; Zhu, ZZ; Johnson, CR; Jimenez-Barbero, J
      Conformational behavior of aza-C-glycosides: Experimental demonstration ofthe relative role of the exo-anomeric effect and 1,3-type interactions in controlling the conformation of regular glycosides

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    57. Favre, M; Moehle, K; Jiang, LY; Pfeiffer, B; Robinson, JA
      Structural mimicry of canonical conformations in antibody hypervariable loops using cyclic peptides containing a heterochiral diproline template

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    58. BACHELIN M; HESSLER G; KURZ G; HACIA JG; DERVAN PB; KESSLER H
      STRUCTURE OF A STEREOREGULAR PHOSPHOROTHIOATE DNA RNA DUPLEX/

      Nature structural biology
    59. GONG QG; WU JH; LIU Q; SHI YY; CUI DF; XU LG; ZHANG YS
      SOLUTION STRUCTURE OF N-TERMINAL SEGMENT OF HEPATITIS-B VIRUS SURFACE-ANTIGEN PRE-S1

      SCIENCE IN CHINA SERIES C-LIFE SCIENCES
    60. FAIRBROTHER WJ; CHAMPE MA; CHRISTINGER HW; KEYT BA; STAROVASNIK MA
      SOLUTION STRUCTURE OF THE HEPARIN-BINDING DOMAIN OF VASCULAR ENDOTHELIAL GROWTH-FACTOR

      Structure
    61. GOLL CM; PASTORE A; NILGES M
      THE 3-DIMENSIONAL STRUCTURE OF A TYPE-I MODULE FROM TITIN - A PROTOTYPE OF INTRACELLULAR FIBRONECTIN TYPE-III DOMAINS

      Structure
    62. Guntert, P; Billeter, M; Ohlenschlager, O; Brown, LR; Wuthrich, K
      Conformational analysis of protein and nucleic acid fragments with the newgrid search algorithm FOUND

      JOURNAL OF BIOMOLECULAR NMR
    63. BRUNGER AT; ADAMS PD; CLORE GM; DELANO WL; GROS P; GROSSEKUNSTLEVE RW; JIANG JS; KUSZEWSKI J; NILGES M; PANNU NS; READ RJ; RICE LM; SIMONSON T; WARREN GL
      CRYSTALLOGRAPHY AND NMR SYSTEM - A NEW SOFTWARE SUITE FOR MACROMOLECULAR STRUCTURE DETERMINATION

      Acta crystallographica. Section D, Biological crystallography
    64. ABSEHER R; HORSTINK L; HILBERS CW; NILGES M
      ESSENTIAL SPACES DEFINED BY NMR STRUCTURE ENSEMBLES AND MOLECULAR-DYNAMICS SIMULATION SHOW SIGNIFICANT OVERLAP

      Proteins
    65. ALLEN MD; YAMASAKI K; OHMETAKAGI M; TATENO M; SUZUKI M
      A NOVEL MODE OF DNA RECOGNITION BY A BETA-SHEET REVEALED BY THE SOLUTION STRUCTURE OF THE GCC-BOX BINDING DOMAIN IN COMPLEX WITH DNA

      EMBO journal (Print)
    66. BASU SK; HAWORTH IS; BOLGER MB; LEE VHL
      PROTON-DRIVEN DIPEPTIDE UPTAKE IN RABBIT CONJUNCTIVAL EPITHELIAL-CELLS

      Investigative ophthalmology & visual science
    67. NILGES M; ODONOGHUE SI
      AMBIGUOUS NOES AND AUTOMATED NOE ASSIGNMENT

      Progress in nuclear magnetic resonance spectroscopy
    68. GUNTERT P
      STRUCTURE CALCULATION OF BIOLOGICAL MACROMOLECULES FROM NMR DATA

      Quarterly Reviews of Biophysics
    69. FETROW JS; SKOLNICK J
      METHOD FOR PREDICTION OF PROTEIN FUNCTION FROM SEQUENCE USING THE SEQUENCE-TO-STRUCTURE-TO-FUNCTION PARADIGM WITH APPLICATION TO GLUTAREDOXINS THIOREDOXINS AND T-1 RIBONUCLEASES/

      Journal of Molecular Biology
    70. GEHRMANN J; ALEWOOD PF; CRAIK DJ
      STRUCTURE DETERMINATION OF THE 3 DISULFIDE BOND ISOMERS OF ALPHA-CONOTOXIN GI - A MODEL FOR THE ROLE OF DISULFIDE BONDS IN STRUCTURAL STABILITY

      Journal of Molecular Biology
    71. Haaf, A; LeClaire, L; Roberts, G; Kent, HM; Roberts, TM; Stewart, M; Neuhaus, D
      Solution structure of the motile major sperm protein (MSP) of Ascaris suum- Evidence for two manganese binding sites and the possible role of bivalent cations in filament formation

      JOURNAL OF MOLECULAR BIOLOGY
    72. WONG AK; FINCH AM; PIERENS GK; CRAIK DJ; TAYLOR SM; FAIRLIE DP
      SMALL MOLECULAR PROBES FOR G-PROTEIN-COUPLED C5A RECEPTORS - CONFORMATIONALLY CONSTRAINED ANTAGONISTS DERIVED FROM THE C-TERMINUS OF THE HUMAN PLASMA-PROTEIN C5A

      Journal of medicinal chemistry
    73. SPATH J; STUART F; JIANG LY; ROBINSON JA
      STABILIZATION OF A BETA-HAIRPIN CONFORMATION IN A CYCLIC PEPTIDE USING THE TEMPLATING EFFECT OF A HETEROCHIRAL DIPROLINE UNIT

      Helvetica chimica acta
    74. MATTINEN ML; LINDER M; DRAKENBERG T; ANNILA A
      SOLUTION STRUCTURE OF THE CELLULOSE-BINDING DOMAIN OF ENDOGLUCANASE-IFROM TRICHODERMA-REESEI AND ITS INTERACTION WITH CELLO-OLIGOSACCHARIDES

      European journal of biochemistry
    75. WALSE B; KIHLBERG J; DRAKENBERG T
      CONFORMATION OF DESMOPRESSIN, AN ANALOG OF THE PEPTIDE-HORMONE VASOPRESSIN, IN AQUEOUS-SOLUTION AS DETERMINED BY NMR-SPECTROSCOPY

      European journal of biochemistry
    76. MIERKE DF
      OVERLAPPING ENSEMBLE DYNAMICS - A METHOD FOR STRUCTURE CALCULATIONS OF MULTIPLE CONFIGURATIONAL ISOMERS

      Journal of the American Chemical Society
    77. BISANG C; JIANG LY; FREUND E; EMERY F; BAUCH C; MATILE H; PLUSCHKE G; ROBINSON JA
      SYNTHESIS, CONFORMATIONAL PROPERTIES, AND IMMUNOGENICITY OF A CYCLIC TEMPLATE-BOUND PEPTIDE MIMETIC CONTAINING AN NPNA MOTIF FROM THE CIRCUMSPOROZOITE PROTEIN OF PLASMODIUM-FALCIPARUM

      Journal of the American Chemical Society
    78. BRUNGER AT; ADAMS PD; RICE LM
      NEW APPLICATIONS OF SIMULATED ANNEALING IN X-RAY CRYSTALLOGRAPHY AND SOLUTION NMR

      Structure
    79. MATTINEN ML; KONTTELI M; KEROVUO J; LINDER M; ANNILA A; LINDEBERG G; REINIKAINEN T; DRAKENBERG T
      3-DIMENSIONAL STRUCTURES OF 3 ENGINEERED CELLULOSE-BINDING DOMAINS OFCELLOBIOHYDROLASE-I FROM TRICHODERMA-REESEI

      Protein science
    80. ATKINSON RA; SAUDEK V
      DIRECT FITTING OF STRUCTURE AND CHEMICAL-SHIFT TO NMR-SPECTRA

      Journal of the Chemical Society. Faraday transactions
    81. DAURA X; VANGUNSTEREN WF; RIGO D; JAUN B; SEEBACH D
      STUDYING THE STABILITY OF A HELICAL BETA-HEPTAPEPTIDE BY MOLECULAR-DYNAMICS SIMULATIONS

      Chemistry
    82. YAO LJ; JAMES TL; KEALEY JT; SANTI DV; SCHMITZ U
      THE DYNAMIC NMR STRUCTURE OF THE T-PSI-C-LOOP - IMPLICATIONS FOR THE SPECIFICITY OF TRANSFER-RNA METHYLATION

      Journal of biomolecular NMR
    83. FOLMER RHA; HILBERS CW; KONINGS RNH; NILGES M
      FLOATING STEREOSPECIFIC ASSIGNMENT REVISITED - APPLICATION TO AN 18 KDA PROTEIN AND COMPARISON WITH J-COUPLING DATA

      Journal of biomolecular NMR
    84. HARRISON RW; REED CC; WEBER IT
      ANALYSIS OF COMPARATIVE MODELING PREDICTIONS FOR CASP2 TARGET-1, TARGET-3, TARGET-9, AND TARGET-17

      Proteins
    85. NANZER AP; TORDA AE; BISANG C; WEBER C; ROBINSON JA; VANGUNSTEREN WF
      DYNAMICAL STUDIES OF PEPTIDE MOTIFS IN THE PLASMODIUM-FALCIPARUM CIRCUMSPOROZOITE SURFACE PROTEIN BY RESTRAINED AND UNRESTRAINED MD SIMULATIONS

      Journal of Molecular Biology
    86. POLSHAKOV VI; WILLIAMS MA; GARGARO AR; FRENKIEL TA; WESTLEY BR; CHADWICK MP; MAY FEB; FEENEY J
      HIGH-RESOLUTION SOLUTION STRUCTURE OF HUMAN PNR-2 PS2 - A SINGLE TREFOIL MOTIF PROTEIN/

      Journal of Molecular Biology
    87. PFEIFFER S; KARIMINEJAD Y; RUTERJANS H
      LIMITS OF NMR STRUCTURE DETERMINATION USING VARIABLE TARGET FUNCTION CALCULATIONS - RIBONUCLEASE T-1, A CASE-STUDY

      Journal of Molecular Biology
    88. GUNN JR
      SAMPLING PROTEIN CONFORMATIONS USING SEGMENT LIBRARIES AND A GENETIC ALGORITHM

      The Journal of chemical physics
    89. ZVI A; FEIGELSON DJ; HAYEK Y; ANGLISTER J
      CONFORMATION OF THE PRINCIPAL NEUTRALIZING DETERMINANT OF HUMAN-IMMUNODEFICIENCY-VIRUS TYPE-1 IN COMPLEX WITH AN ANTI-GP120 VIRUS NEUTRALIZING ANTIBODY STUDIED BY 2-DIMENSIONAL NUCLEAR-MAGNETIC-RESONANCE DIFFERENCE SPECTROSCOPY

      Biochemistry
    90. STEIN EG; RICE LM; BRUNGER AT
      TORSION-ANGLE MOLECULAR-DYNAMICS AS A NEW EFFICIENT TOOL FOR NMR STRUCTURE CALCULATION

      Journal of magnetic resonance [1997]
    91. NILGES M
      STRUCTURE CALCULATION FROM NMR DATA

      Current opinion in structural biology
    92. NANZER AP; HUBER T; TORDA AE; VANGUNSTEREN WF
      MOLECULAR-DYNAMICS SIMULATION USING WEAK-COUPLING NOE DISTANCE RESTRAINING

      Journal of biomolecular NMR
    93. FLETCHER CM; JONES DNM; DIAMOND R; NEUHAUS D
      TREATMENT OF NOE CONSTRAINTS INVOLVING EQUIVALENT OR NONSTEREOASSIGNED PROTONS IN CALCULATIONS OF BIOMACROMOLECULAR STRUCTURES

      Journal of biomolecular NMR
    94. PEARLMAN DA
      FINGAR - A NEW GENETIC ALGORITHM-BASED METHOD FOR FITTING NMR DATA

      Journal of biomolecular NMR
    95. LEPRE CA; PEARLMAN DA; FUTER O; LIVINGSTON DJ; MOORE JM
      PRACTICAL APPLICATIONS OF TIME-AVERAGED RESTRAINED MOLECULAR-DYNAMICSTO LIGAND-RECEPTOR SYSTEMS - FK506 BOUND TO THE Q50R,A95H,K98I TRIPLEMUTANT OF FKBP-13

      Journal of biomolecular NMR
    96. GRADWELL MJ; FEENEY J
      VALIDATION OF THE USE OF INTERMOLECULAR NOE CONSTRAINTS FOR OBTAININGDOCKED STRUCTURES OF PROTEIN-LIGAND COMPLEXES

      Journal of biomolecular NMR
    97. DEGROOT BL; AMADEI A; SCHEEK RM; VANNULAND NAJ; BERENDSEN HJC
      AN EXTENDED SAMPLING OF THE CONFIGURATIONAL SPACE OF HPR FROM ESCHERICHIA-COLI

      Proteins
    98. BERNDT KD; GUNTERT P; WUTHRICH K
      CONFORMATIONAL SAMPLING BY NMR SOLUTION STRUCTURES CALCULATED WITH THE PROGRAM DIANA EVALUATED BY COMPARISON WITH LONG-TIME MOLECULAR-DYNAMICS CALCULATIONS IN EXPLICIT WATER

      Proteins
    99. LANE AN
      INFLUENCE OF CONFORMATIONAL AVERAGING ON H-1-H NOES AND STRUCTURE DETERMINATION IN DNA

      Magnetic resonance in chemistry
    100. VARANI G; ABOULELA F; ALLAIN FHT
      NMR INVESTIGATION OF RNA STRUCTURE

      Progress in nuclear magnetic resonance spectroscopy


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Documento generato il 21/10/20 alle ore 16:20:01