Biophysical Society 2020 Annual Meeting

Protein-Small Molecule Interactions I (Boards B54 - B74) Board B54 ILLUMINATING THE STRUCTURAL DETERMINANTS FOR TETRAMERIC AS- SEMBLY OF ONCOGENIC CTBP TO GUIDE INHIBITOR DESIGN.  William E. Royer , Jeffry C. Nichols, Celia A. Schiffer 224-Pos Board B55 CORRELATIONS BETWEEN THERMODYNAMICS AND STRUCTURE OF CARBONIC ANHYDRASE-INHIBITOR BINDING. Vaida Paketuryte , Alexey Smirnov, Alberta Jankunaite, Audrius Zaksauskas, Edita Capkauskaite, Daumantas Matulis 225-Pos Board B56 Travel Awardee LIGAND BINDING, UNBINDING AND ALLOSTERIC EFFECTS: DECIPHERING SMALL MOLECULE MODULATION OF HSP90. Daniele Di Marino , Ilda D’Annessa, Stefano Raniolo, Vittorio Limongelli, Giorgio Colombo 226-Pos Board B57 INTERPLAY OF CONFORMATIONAL PLASTICITY AND SUBSTRATE POLY- MORPHISM IN MALARIAL TYROSYL-TRNA SYNTHETASE. Manish Datt 227-Pos Board B58 ER STRESS DIRECTLY ACTIVATES INFLAMMATORY RESPONSES THROUGH DAMP PRODUCTION. Ying Fan , Darren F. Boehning, Askar M. Akimzha- nov, Abdikarim Abdullahi, Marc Jeschke 228-Pos Board B59 AN INTEGRATED COMPUTATIONAL APPROACH FOR THE DISCOVERY OF UBIQUITIN SPECIFIC PROTEASE 7 (USP7) INHIBITORS AS POTENTIAL CAN- CER THERAPIES. Serdar Durdagi 229-Pos Board B60 TWO STEP MECHANISM OF AN ACTIVITY-BASED FLUORESCENT PROBE FOR CYCLOOXYGENASE-2. Andres S. Arango , Anuj Yadav, Christopher J. Reinhardt, Hannah C. Huff, Liang Dong, Aditi Das, Michael G. Malkowski, Jefferson Chan, Emad Tajkhorshid 230-Pos Board B61 THE EFFECT OF (-)-EPIGALLOCATECHIN-3-GALLATE ON THE AΒ SECOND- ARY STRUCTURE. Atanu Acharya , Julia Stockmann, Leon Beyer, Andreas Nabers, Klaus Gerwert, James C. Gumbart, Victor S. Batista 231-Pos Board B62 MECHANISM OF PKR ACTIVATION BY SMALL MOLECULES. Stephen J. Hesler, Vicky Godoy, James L. Cole 232-Pos Board B63 CRYO-EM AS A TOOL FOR DRUG DEVELOPMENT INVOLVING AN INHIBI- TOR OF A 29 KDA PROTEIN. Wei Huang , Hongyun Li, Joseph M. Ready, Sanford D. Markowitz, Derek J. Taylor 233-Pos Board B64 THE ENTHALPY OF PROTEIN-LIGAND INTERACTION. Asta Zubrien, Daumantas Matulis 234-Pos Board B65 DILUTE VS NON-DILUTE FLOODING MOLECULAR DYNAMICS SIMU- LATIONS - WHERE DO WE DRAW THE LINE. Leticia Stock , Leonardo Cirqueira, Werner Treptow 235-Pos Board B66 IDENTIFYING LIGAND BINDING SITES OF PROTEINS USING CRYSTALLO- GRAPHIC BFACTORS AND RELATIVE POCKET SIZES. Navya Shilpa Josyula, Constance Jeffery 236-Pos Board B67 POLYETHYLENE GLYCOL SIZE AND PROTEIN-COMPLEX STABILITY.  Francis J. Lauzier , Claire J. Stewart, Daniel Harries, Gary J. Pielak, Shannon L. Speer 223-Pos

237-Pos Board B68 THE CONSTRUCTION OF FUNCTIONALIZED BIO-INORGANIC NANOPORES AND ITS APPLICATION. Sha Wang , Shuo Huang 238-Pos Board B69 CALCULATION OF BACKBONE AND SIDE CHAIN CONFORMATIONAL ENTROPY CHANGES UPON BINDING OF PROLINE-RICH MOTIFS TO SH3 DOMAIN.  Jie Shi , Jae-Hyun Cho, Wonmuk Hwang 239-Pos Board B70 STRUCTURAL BASIS OF P97 INHIBITION BY THE ANTI-CANCER COM- POUND CB-5083. Di Xia , Wai-Kwan Tang 240-Pos Board B71 FROM BRANCHES TO FIBERS - INVESTIGATING F-ACTIN NETWORKS WITH BIOCHEMISTRY AND MATHEMATICAL MODELING. Melissa A. Riddle , Olga Askinazi, Callie Miller, Dorothy Schafer 241-Pos Board B72 ABSOLUTE BINDING FREE ENERGY CALCULATIONS OF DRUGS TO THE HERG CHANNEL FOR THE PREDICTION OF CARDIOTOXICITY.  Tatsuki Negami , Tohru Terada 242-Pos Board B73 MOLECULAR MECHANISM OF MELATONIN AND SEROTONIN AFFECT- ING THE AGGREGATION OF AMYLOID-Β. Yehong Gong , Yu Zou, Qingwen Zhang 243-Pos Board B74 Travel Awardee INVESTIGATION OF THE IMPACT OF POST-TRANSLATIONAL MODIFICA- TIONS OF HNRNP A18 ON SMALL MOLECULE INHIBITORS.  Katherine Coburn , Eduardo Solano-Gonzalez, Braden Roth, Paul T. Wilder, Kristen Varney, France Carrier, David J. Weber Protein Dynamics and Allostery I (Boards B75 - B96) 244-Pos Board B75 SEARCHING FOR A MECHANISTIC DESCRIPTION OF PAIRWISE EPISTASIS IN PROTEIN SYSTEMS.  Jonathan Barnes , Kyle Martin, Craig Miller, F. Marty Board B76 MAPPING THE ADENYLATE KINASE REACTION BY TIME-RESOLVED X-RAY SOLUTION SCATTERING. Harsha Ravishankar, Jack Goodman, Martin Nors Pedersen, Michael Wulff, Matteo Levantino, Magnus Wolf-Watz, Magnus Andersson 246-Pos Board B77 Travel Awardee USING FLUORESCENCE CORRELATION SPECTROSCOPY TO ACCURATELY MEASURE PROTEIN CONCENTRATION GRADIENTS IN THE PRESENCE OF NOISE AND PHOTOBLEACHING. Lili Zhang , Cécile Fradin 247-Pos Board B78 S195A IS A CATALYTICALLY INACTIVE MUTANT OF THE PROTEASE DOMAIN OF THE UROKINASE-TYPE PLASMINOGEN ACTIVATOR (UPA).  Francis X. Alipranti , Mahima Masih, Constanza Torres-Paris, Elizabeth A. Board B79 BACKBONE DYNAMICS AND CHEMICAL EXCHANGE OF PEROXIREDOXIN Q FROM XANTHAMONAS CAMPESTRIS . Aidan Estelle , Patrick N. Reardon, Seth Pinckney, Andrew Karplus, Elisar J. Barbar 249-Pos Board B80 CONFORMATIONAL CONSEQUENCES OF PHOSPHOINOSITIDE BINDING TO DYSFERLIN C2A. Shauna C. Otto , Patrick N. Reardon, Tanushri Kumar, Colin P. Johnson Ytreberg 245-Pos Komives 248-Pos

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