BPS Program Book 2014

1319-P os B oard #B49 THERMODYNAMIC CHARACTERIZATION OF PROTEIN FOLDING USINGMONTE CARLOMETHODS. Nana M. Heilmann , Moritz Wolf, Timo Strunk, Julia Setzler, Martin Brieg, Wolfgang Wenzel 1320-P os B oard #B50 MECHANISTIC EXPLANATION OF DIFFERENT UNFOLDING BEHAVIORS OBSERVED FOR TRANSMEMBRANE AND SOLUBLE β -BARREL PROTEINS. Ulf Hensen , Daniel J. Mueller 1321-P os B oard #B51 DECIPHERING FOLDING PATHWAYS OF PHAGE T4 LYSOZYME: INFLUENCE OF MULTIPLE CONFORMATIONS. Katherina Hemmen , Dmitro Rodnin, Daniel Rohrbeck, Soheila Rezaei Adariani, Hugo Sanabria, Claus A. M. Seidel 1322-P os B oard #B52 KINETIC OF LOOP FORMATION IN POLYPEPTIDES AND FREE ENERGY LANDSCAPES. Emanuele Paci , James Gowdy 1323-P os B oard #B53 VOLUME AND ENTHALPY PROFILE OF SURFACTANT-INDUCED PROTEIN FOLDING IN FERROUS CYTOCHROME-C, USING CO PHOTO-DISSOCIATIONMETHODS. Tarah A. Word , Randy W. Larsen 1324-P os B oard #B54 COMBINE HIGH-RESOLUTION OPTICAL TWEEZER DATA WITH PROTEIN CRYSTAL STRUCTURE TO DERIVE ENERGY, KINETICS, AND STRUCTURE OF CONFORMATIONAL STATES ALONG PROTEIN FOLDING PATHWAY. Aleksander Rebane , Yongli Zhang 1325-P os B oard #B55 education travel awardee SUPPRESSION OF PICOSECOND DYNAMICS IN β -CASEIN UPON CALCIUM BINDING. Stefania Perticaroli, Jonathan D. Nickels, Georg Ehlers, Eugene Mamontov, Alexei P. Sokolov 1326-P os B oard #B56 PARTIAL FOLDING AND UNIQUE ATP FUNCTION IN PROTEIN PHOSPHATASE 2A LATENCY AND ACTIVATION. Yongna Xing Enzyme Inhibition (Boards #B57–#B70) 1327-P os B oard #B57 MOLECULAR DYNAMICS OF THE DENGUE VIRUS NS3/NS2B PROTEASE IN PRESENCE OF INHIBITOR OR SUBSTRATE. Maria Carolina P. Lima , Gustavo de Miranda Seabra 1328-P os B oard #B58 DYNAMICAL NETWORK IN HIV-1 PROTEASE AND ITS MUTANTS: IMPLICATIONS ON DRUG RESISTANCE. Rajeswari Appathurai , Sanjib Senapati 1329-P os B oard #B59 minority affairs travel awardee UNDERSTANDING THE MOLECULAR MECHANISM OF SYNERGISTIC INHIBITION IN THE HEPATITIS C VIRUS (HCV) POLYMERASE USING MOLECULAR DYNAMICS SIMULATIONS AND FREE ENERGY CALCULATIONS. Jodian A. Brown , Ian F. Thorpe 1330-P os B oard #B60 REGULATORY ELEMENTS OF HCV NS5B POLYMERASE - β -LOOP AND C-TERMINAL TAIL - ARE REQUIRED FOR ACTIVITY OF ALLOSTERIC THUMB SITE II INHIBITORS. Anita Niedziela-Majka , Sarah E. Boyce, Neeraj Tirunagari, Jason Perry, Melanie Wong, Elaine Kan, Leanna Lagpacan, Ona Barauskas, Magdeleine Magdeleine Hung, Martijn Fenaux, Todd Appleby, William J. Watkins, Uli Schmitz, Roman Sakowicz

1331-P os B oard #B61 COMPUTATIONAL THROMBIN INHIBITOR OPTIMIZATION. Vytautas Gapsys , Bert de Groot 1332-P os B oard #B62 PROBING THE LIGAND BINDING MECHANISM OF MNK INHIBITORS BY DOCKING AND MOLECULAR DYNAMICS SIMULATIONS. Srinivasaraghavan Kannan , Anders Poulsen, Haiyan Yang, Melvyn Ho, May Ann, Lohitha Rao Chennamaneni, Jeffrey Hill, Chandra S. Verma, Kassoum Nacro 1333-P os B oard #B63 DEVELOPMENT OF NOVEL XANTHINE OXIDASE INHIBITORS WITH RADICAL SCAVENGING PROPERTIES FOR THE PREVENTION OF REPERFUSION INJURIES. Stefan Paula , Taylor Kidd, Emily Hofmann, Rebekka Meeks, Reid Kline, Thuy Do, Timothy Dunn, Lili Ma 1334-P os B oard #B64 DATA MINING THE PDB: PHOSPHORYLATION CAN DIRECTLY INTERFERE WITH DRUG BINDING. Kyle P. Smith , Kathleen M. Gifford, Julian L. Klosowiak, Sarah E. Rice 1335-P os B oard #B65 EFFECT OF NATURAL PRODUCT EXTRACTS ON LIPOXYGENASE, CYCLOOXYGENASE, AND PROTEIN TYROSINE PHOSPHATASE 1B. Magdalena M. Siodlak , Sharada T. Buddha 1336-P os B oard #B66 STRUCTURE-THERMODYNAMICS CORRELATIONS OF FLUORINATED BENZENSULFONAMIDES AS INHIBITORS OF HUMAN CARBONIC ANHYDRASES. Daumantas Matulis , Joana Gylytė, Asta Zubrienė, Virginija Dudutienė, Alexey Smirnov, Lena Manakova, Saulius Gražulis 1337-P os B oard #B67 AN ASYMMETRIC PATTERN IN BINDING OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASES TO THEIR INHIBITORS AND ITS IMPLICATIONS FOR ENZYME CATALYSIS AND ALLOSTERIC REGULATION. Inseok Song 1338-P os B oard #B68 A NOVEL AROMATIC CARBOXYLIC ACID INHIBITS LUCIFERASE ENZYMATIC ACTIVITY IN MAMMALIAN CELLS BY ACYLATION OF AN ACTIVE REGULATORY LYSINE RESIDUE. Madoka Nakagomi , Koichi Shudo, Satoshi Sakamoto, Hiroshi Handa, Takeo Iwamoto, Tomokazu Matsuura 1339-P os B oard #B69 STRUCTURE ANALYSIS OF HISTIDINE DECARBOXYLASE IN COMPLEX WITH INHIBITORS. Hirofumi Komori , Yoko Nitta, Hiroshi Ueno, Yoshiki Higuchi 1340-P os B oard #B70 COVALENT DOCKING OF LARGE LIBRARIES FOR THE DIS- COVERY OF CHEMICAL PROBES. Nir London , Rand M. Miller, John J. Irwin, Oliv Eidam, Lucie Gibold, Richard Bonnet, Brian K. Shoichet, Jack Taunton

M O N D A Y

Membrane Structure, Folding, and Design (Boards #B71–#B87)

1341-P os B oard #B71 THERMODYNAMIC AND FUNCTIONAL ANALYSIS OF CLC DIMERIZATION. Nicholas B. Last , Christopher Miller

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Biophysical Society 58 th Annual Meeting, San Francisco, California