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    1. Pillardy, J; Czaplewski, C; Liwo, A; Wedemeyer, WJ; Lee, J; Ripoll, DR; Arlukowicz, P; Oldziej, S; Arnautova, YA; Scheraga, HA
      Development of physics-based energy functions that predict medium-resolution structures for proteins of the alpha,beta and alpha/beta structural classes

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Rodziewicz-Motowidlo, S; Lesner, A; Legowska, A; Czaplewski, C; Liwo, A; Rolka, K; Patacchini, R; Quartara, L
      Synthesis, activity on NK-(3) tachykinin receptor and conformational solution studies of scyliorhinin II analogs modified at position 16

      JOURNAL OF PEPTIDE RESEARCH
    3. Pillardy, A; Czaplewski, C; Liwo, A; Lee, J; Ripoll, DR; Kazmierkiewicz, R; Oldziej, S; Wedemeyer, WJ; Gibson, KD; Arnautova, YA; Saunders, J; Ye, YJ; Scheraga, HA
      Recent improvements in prediction of protein structure by global optimization of a potential energy function

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    4. Liwo, A; Czaplewski, C; Pillardy, J; Scheraga, HA
      Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field

      JOURNAL OF CHEMICAL PHYSICS
    5. 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
    6. Malicka, J; Groth, M; Czaplewski, C; Karolczak, J; Liwo, A; Wiczk, W
      Influence of solvent and configuration of residues at positions 2 and 3 ondistance and mobility of pharmacophore groups at positions 1 and 4 in cyclic enkephalin analogues

      BIOPOLYMERS
    7. Malicka, J; Groth, M; Karolczak, J; Czaplewski, C; Liwo, A; Wiczk, W
      Influence of solvents and leucine configuration at position 5 on tryptophan fluorescence in cyclic enkephalin analogues

      BIOPOLYMERS
    8. Malicka, J; Ganzynkowicz, R; Groth, M; Czaplewski, C; Karolczak, J; Liwo, A; Wiczk, W
      Fluorescence decay time distribution analysis of cyclic enkephalin analogues; Influence of solvent and Leu configuration in position on conformation

      ACTA BIOCHIMICA POLONICA
    9. Rodziewicz-Motowidlo, S; Legowska, A; Qi, XF; Czaplewski, C; Liwo, A; Sowinski, P; Mozga, W; Olczak, J; Zabrocki, J; Rolka, K
      Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis

      JOURNAL OF PEPTIDE RESEARCH
    10. Czaplewski, C; Rodziewicz-Motowidlo, S; Liwo, A; Ripoll, DR; Wawak, RJ; Scheraga, HA
      Molecular simulation study of cooperativity in hydrophobic association

      PROTEIN SCIENCE
    11. Klaudel, L; Rodziewicz-Motowidlo, S; Liwo, A; Rolka, K
      A comparison of solution conformations of scyliorhinin I and its analogue with N-methyl-L-phenylalanine in position 7

      POLISH JOURNAL OF CHEMISTRY
    12. 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
    13. Ossowski, T; Pipka, P; Liwo, A; Jeziorek, D
      Electrochemical and UV-spectrophotometric study of oxygen and superoxide anion radical interaction with anthraquinone derivatives and their radical anions

      ELECTROCHIMICA ACTA
    14. Lee, JY; Pillardy, J; Czaplewski, C; Arnautova, Y; Ripoll, DR; Liwo, A; Gibson, KD; Wawak, RJ; Scheraga, HA
      Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals

      COMPUTER PHYSICS COMMUNICATIONS
    15. Bobrowski, M; Liwo, A; Oldziej, S; Jeziorek, D; Ossowski, T
      CAS MCSCF/CAS MCQDPT2 study of the mechanism of singlet oxygen addition to1,3-butadiene and benzene

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    16. 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
    17. 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
    18. Makowski, M; Liwo, A; Wrobel, R; Chmurzynski, L
      Ab initio study of energetics of protonation and hydrogen bonding of pyridine N-oxide and its derivatives

      JOURNAL OF PHYSICAL CHEMISTRY A
    19. 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
    20. Scheraga, HA; Lee, J; Pillardy, J; Ye, YJ; Liwo, A; Ripoll, D
      Surmounting the multiple-minima problem in protein folding

      JOURNAL OF GLOBAL OPTIMIZATION
    21. 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
    22. Lee, J; Liwo, A; Ripoll, DR; Pillardy, J; Scheraga, HA
      Calculation of protein conformation by global optimization of a potential energy function

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    23. Rodziewicz, S; Wirkus-Romanowska, I; Ciurak, M; Miecznikowska, H; Kupryszewski, G; Czaplewski, C; Liwo, A; Rolka, K
      Cyclic analogues of proline-rich protein fragments. Part II: Conformational studies using NMR spectroscopy and theoretical conformational analysis

      POLISH JOURNAL OF CHEMISTRY
    24. Lee, J; Liwo, A; Scheraga, HA
      Energy-based de novo protein folding by conformational space annealing andan off-lattice united-residue force field: Application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    25. Liwo, A; Lee, J; Ripoll, DR; Pillardy, J; Scheraga, HA
      Protein structure prediction by global optimization of a potential energy function

      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    26. Kaczmarczyk, E; Wrobel, R; Liwo, A; Chmurzynski, L
      Temperature dependence of the acid-base equilibrium constants of substituted pyridine N-oxides in acetonitrile

      JOURNAL OF MOLECULAR STRUCTURE
    27. Bogdanska, A; Chmurzynski, L; Ossowski, T; Liwo, A; Jeziorek, D
      Protolytic equilibria of dihydroxyanthraquinones in non-aqueous solutions

      ANALYTICA CHIMICA ACTA
    28. Zielinska, J; Makowski, M; Maj, K; Liwo, A; Chmurzynski, L
      Acid-base and hydrogen-bonding equilibria in aliphatic amine and carboxylic acid systems in non-aqueous solutions

      ANALYTICA CHIMICA ACTA
    29. Malicka, J; Groth, M; Czaplewski, C; Liwo, A; Wiczk, W
      Fluorescence decay time distribution analysis of cyclic enkephalin analogues. Influence of the solvents and configuration of amino acids in position 2 and 3 on changes in conformation

      ACTA BIOCHIMICA POLONICA
    30. WAWAK RJ; PILLARDY J; LIWO A; GIBSON KD; SCHERAGA HA
      DIFFUSION EQUATION AND DISTANCE SCALING METHODS OF GLOBAL OPTIMIZATION - APPLICATIONS TO CRYSTAL-STRUCTURE PREDICTION

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    31. LIWO A; KAZMIERKIEWICZ R; CZAPLEWSKI C; GROTH M; OLDZIEJ S; WAWAK RJ; RACKOVSKY S; PINCUS MR; SCHERAGA HA
      UNITED-RESIDUE FORCE-FIELD FOR OFF-LATTICE PROTEIN-STRUCTURE SIMULATIONS - III - ORIGIN OF BACKBONE HYDROGEN-BONDING COOPERATIVITY IN UNITED-RESIDUE POTENTIALS

      Journal of computational chemistry
    32. WAWRZYNOW A; LIWO A; KACZMARCZYK E; CHMURZYNSKI L
      CATIONIC HETEROCONJUGATION CONSTANTS IN THE OHN- DEPENDENCE ON DIFFERENCE IN BASICITY( AND NHO+ SYSTEMS IN PROPYLENE CARBONATE )

      Journal of solution chemistry
    33. SHI XW; ATTYGALLE AB; LIWO A; HAO MH; MEINWALD J; DHARMARATNE HRW; WANIGASEKERA WMAP
      ABSOLUTE STEREOCHEMISTRY OF SOULATTROLIDE AND ITS ANALOGS

      Journal of organic chemistry
    34. WAWRZYNOW A; LIWO A; KACZMARCZYK E; CHMURZYNSKI L
      A POTENTIOMETRIC STUDY OF THE (OHO)(-TYPE CATIONIC HETEROCONJUGATION EQUILIBRIA IN PROPYLENE CARBONATE())

      Journal of molecular structure
    35. RIPOLL DR; LIWO A; SCHERAGA HA
      NEW DEVELOPMENTS OF THE ELECTROSTATICALLY DRIVEN MONTE-CARLO METHOD -TEST ON THE MEMBRANE-BOUND PORTION OF MELITTIN

      Biopolymers
    36. JEZIOREK D; OSSOWSKI T; LIWO A; DYL D; NOWACKA M; WOZNICKI W
      THEORETICAL AND ELECTROCHEMICAL STUDY OF THE MECHANISM OF ANTHRAQUINONE-MEDIATED ONE-ELECTRON REDUCTION OF OXYGEN - THE INVOLVEMENT OF ADDUCTS OF DIOXYGEN SPECIES TO ANTHRAQUINONES

      Perkin transactions. 2
    37. LIWO A; OLDZIEJ S; PINCUS MR; WAWAK RJ; RACKOVSKY S; SCHERAGA HA
      A UNITED-RESIDUE FORCE-FIELD FOR OFF-LATTICE PROTEIN-STRUCTURE SIMULATIONS .1. FUNCTIONAL FORMS AND PARAMETERS OF LONG-RANGE SIDE-CHAIN INTERACTION POTENTIALS FROM PROTEIN CRYSTAL DATA

      Journal of computational chemistry
    38. LIWO A; PINCUS MR; WAWAK RJ; RACKOVSKY S; OLDZIEJ S; SCHERAGA HA
      A UNITED-RESIDUE FORCE-FIELD FOR OFF-LATTICE PROTEIN-STRUCTURE SIMULATIONS .2. PARAMETERIZATION OF SHORT-RANGE INTERACTIONS AND DETERMINATION OF WEIGHTS OF ENERGY TERMS BY Z-SCORE OPTIMIZATION

      Journal of computational chemistry
    39. LIWO A; DYL D; JEZIOREK D; NOWACKA M; OSSOWSKI T; WOZNICKI W
      MCSCF STUDY OF SINGLET OXYGEN ADDITION TO ETHENOL - A MODEL OF PHOTOOXIDATION REACTIONS OF UNSATURATED AND AROMATIC-COMPOUNDS BEARING HYDROXY-GROUPS

      Journal of computational chemistry
    40. LIWO A; JEZIOREK D; DYL D; OSSOWSKI T; CHMURZYNSKI L
      THEORETICAL-STUDY OF THE ROLE OF HYDROGEN-BONDING AND PROTON-TRANSFERIN OXYGEN REDUCTION BY SEMIQUINONES

      Journal of molecular structure. Theochem
    41. LIWO A; SKURSKI P; OLDZIEJ S; LANKIEWICZ L; MALICKA J; WICZK W
      A NEW APPROACH TO THE RESOLUTION OF THE EXCITATION-EMISSION SPECTRA OF MULTICOMPONENT SYSTEMS

      Computers & chemistry
    42. CHMURZYNSKI L; KACZMARCZYK E; LIWO A
      A STUDY OF CATIONIC HETEROCONJUGATION EQUILIBRIA OF SUBSTITUTED PYRIDINE N-OXIDES IN ACETONITRILE

      Analytica chimica acta
    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. WICZK W; LANKIEWICZ L; CZAPLEWSKI C; ODZIEJ S; STACHOWIAK K; MICHNIEWICZ A; LIWO A
      THE PHOTOPHYSICS OF BETA-HOMO-TYROSINE AND ITS SIMPLE DERIVATIVES

      Journal of photochemistry and photobiology. A, Chemistry
    45. WICZK W; REKOWSKI P; KUPRYSZEWSKI G; LUBKOWSKI J; OLDZIEJ S; LIWO A
      FLUORESCENCE AND MONTE-CARLO CONFORMATIONAL STUDIES OF THE (1-15) GALANIN AMIDE FRAGMENT

      Biophysical chemistry
    46. 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
    47. RIPOLL DR; VOROBJEV YN; LIWO A; VILA JA; SCHERAGA HA
      COUPLING BETWEEN FOLDING AND IONIZATION EQUILIBRIA - EFFECTS OF PH ONTHE CONFORMATIONAL PREFERENCES OF POLYPEPTIDES

      Journal of Molecular Biology
    48. LIWO A; TEMPCZYK A; OLDZIEJ S; SHENDEROVICH MD; HRUBY VJ; TALLURI S; CIARKOWSKI J; KASPRZYKOWSKI F; LANKIEWICZ L; GRZONKA Z
      EXPLORATION OF THE CONFORMATIONAL SPACE OF OXYTOCIN AND ARGININE-VASOPRESSIN USING THE ELECTROSTATICALLY DRIVEN MONTE-CARLO AND MOLECULAR-DYNAMICS METHODS

      Biopolymers
    49. CHMURZYNSKI L; LIWO A; BARCZYNSKI P
      A POTENTIOMETRIC STUDY OF ACID-BASE EQUILIBRIA OF SUBSTITUTED PYRIDINE N-OXIDES IN NITROBENZENE

      Analytica chimica acta
    50. OLDZIEJ S; CIARKOWSKI J; LIWO A; SHENDEROVICH MD; GRZONKA Z
      CONFORMATIONAL ASPECTS OF DIFFERENCES IN REQUIREMENTS FOR OXYTOCIN AND VASOPRESSIN RECEPTORS

      Journal of receptor and signal transduction research
    51. 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
    52. RIPOLL DR; POTTLE MS; GIBSON KD; SCHERAGA HA; LIWO A
      IMPLEMENTATION OF THE ECEPP ALGORITHM, THE MONTE-CARLO MINIMIZATION METHOD, AND THE ELECTROSTATICALLY DRIVEN MONTE-CARLO METHOD ON THE KENDALL SQUARE RESEARCH KSR1 COMPUTER

      Journal of computational chemistry
    53. RAK J; SKURSKI P; LIWO A; BLAZEJOWSKI J
      THEORETICAL-STUDIES ON THE STRUCTURE, STABILITY, ABILITY TO UNDERGO INTERNAL TRANSFORMATIONS, AND TAUTOMERIZATION, AS WELL AS REACTIVITY, OF H2PPH2 AND HPPH3 MOLECULES

      Journal of the American Chemical Society
    54. LIWO A; JEZIOREK D; OSSOWSKI T; DYL D; TEMPCZYK A; TARASIUK J; NOWACKA M; BOROWSKI E; WOZNICKI W
      MOLECULAR MODELING OF SINGLET-OXYGEN BINDING TO ANTHRAQUINONES IN RELATION TO THE PEROXIDATING ACTIVITY OF ANTITUMOR ANTHRAQUINONE DRUGS

      Acta Biochimica Polonica
    55. LIWO A; TEMPCZYK A; WIDERNIK T; KLENTAK T; CZERMINSKI J
      A THEORETICAL-STUDY OF PROTONATION AND TAUTOMERIZATION OF N-SUBSTITUTED AMINOAZOBENZENES

      Perkin transactions. 2
    56. 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
    57. LIWO A; GIBSON KD; SCHERAGA HA; BRANDTRAUF PW; MONACO R; PINCUS MR
      COMPARISON OF THE LOW-ENERGY CONFORMATIONS OF AN ONCOGENIC AND A NONONCOGENIC P21 PROTEIN, NEITHER OF WHICH BINDS GTP OR GDP

      Journal of protein chemistry
    58. JEZIOREK D; DYL D; LIWO A; OSSOWSKI T; WOZNICKI W
      ENTHALPY OF OXYGEN ADDITION TO ANTHRAQUINONE DERIVATIVES DETERMINES THEIR ABILITY TO MEDIATE NADH OXIDATION

      Anti-cancer drug design
    59. SHENDEROVICH M; WILKE S; KOVER K; COLLINS N; HRUBY V; LIWO A; CIARKOWSKI J
      SOLUTION CONFORMATION OF A POTENT BICYCLIC ANTAGONIST OF OXYTOCIN

      Polish Journal of Chemistry
    60. SHENDEROVICH M; LIWO A; OLDZIEJ S; CIARKOWSKI J
      OXYTOCIN ANTAGONISTS PHARMACOPHORE

      Polish Journal of Chemistry
    61. CIARKOWSKI J; OLDZIEJ S; LIWO A
      MIMICKING THE MECHANISM OF ASPARTIC PROTEASES .1. MOLECULAR MECHANICSSTUDY

      Polish Journal of Chemistry
    62. KAWINSKA M; LANKIEWICZ L; SKURSKI P; MICEWICZ B; WICZK W; OLDZIEJ S; LIWO A
      FLUORESCENCE ENERGY-TRANSFER IN THE SERIES OF LEUCINE-ENKEPHALIN ANALOGS

      Polish Journal of Chemistry
    63. KASPRZYKOWSKI F; SKURSKI P; LIWO A; LANKIEWICZ L; OLDZIEJ S; LANOSZKA J; WICZK W; GRZONKA Z
      CONFORMATIONAL STUDIES OF OXYTOCIN ANALOGS

      Polish Journal of Chemistry
    64. PAWLAK Z; KUNA S; RICHERT M; GIERSZ E; LIWO A; CHMURZYNSKI L
      PROTON-TRANSFER AND HETEROCONJUGATION OF AMMONIUM-IONS WITH N-BASES IN CYCLOHEXANONE, PROPANONE, AND BUTAN-2-ONE

      Journal of Chemical Thermodynamics
    65. LIWO A; PINCUS MR; WAWAK RJ; RACKOVSKY S; SCHERAGA HA
      CALCULATION OF PROTEIN BACKBONE GEOMETRY FROM BETA-CARBON COORDINATESBASED ON PEPTIDE-GROUP DIPOLE ALIGNMENT

      Protein science
    66. LIWO A; PINCUS MR; WAWAK RJ; RACKOVSKY S; SCHERAGA HA
      PREDICTION OF PROTEIN CONFORMATION ON THE BASIS OF A SEARCH FOR COMPACT STRUCTURES - TEST ON AVIAN PANCREATIC-POLYPEPTIDE

      Protein science
    67. TARNOWSKA M; LIWO A; SHENDEROVICH MD; LIEPINA I; GOLBRAIKH AA; GRZONKA Z; TEMPCZYK A
      A MOLECULAR MECHANICS STUDY OF THE EFFECT OF SUBSTITUTION IN POSITION-1 ON THE CONFORMATIONAL SPACE OF THE OXYTOCIN VASOPRESSIN RING/

      Journal of computer-aided molecular design
    68. JEZIOREK D; DYL D; LIWO A; WOZNICKI W; TEMPCZYK A; BOROWSKI E
      A THEORETICAL-STUDY OF THE MECHANISM OF OXYGEN-BINDING BY MODEL ANTHRAQUINONES .2. QUANTUM-MECHANICAL STUDIES OF THE ENERGETICS OF OXYGEN-BINDING TO MODEL ANTHRAQUINONES

      Anti-cancer drug design


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Documento generato il 20/10/20 alle ore 23:11:45