Biophysical Society 2020 Annual Meeting

Protein Structure and Conformation IV (Boards B1 - B32) 2455-Pos Board B1 Travel Awardee CONFORMATIONAL DYNAMICS OF ALANINE IN WATER AND WATER/ ETHANOL MIXTURES: EXPERIMENTALLY DRIVEN EVALUATION OF MO- LECULAR DYNAMICS FORCE FIELDS. Shuting Zhang , Reinhard Schweitzer- Stenner, Brigita Urbanc 2456-Pos Board B2 NANOMECHANICAL DIFFERENCES BETWEEN INACTIVE AND ACTIVE STATES OF RHODOPSIN FROMMOLECULAR-SCALE SIMULATION. Adolfo B. Poma , Slawomir Filipek, Paul Park 2457-Pos Board B3 PROTEINS ON THE WATER/AIR INTERFACES: INSIGHTS FROM SIMULA- TIONS USING POLARIZABLE FORCE FIELDS. Jian Zhu, Zongyang Qiu, Jing Huang 2458-Pos Board B4 A COMPUTATIONAL PERSPECTIVE ON THE GATING MECHANISM OF Β-KETOACYL-ACP SYNTHASES . Ashay Patel , Jeffrey T. MIndrebo, Woojoo E. Kim, Aochiu Chen, Thomas G. Bartholow, Tony D. Davis, James J. La Clair, J. AndrewMcCammon, Joseph P. Noel, Michael D. Burkart 2459-Pos Board B5 LOCAL UNFOLDING RELATES TO PROTEOLYTIC SUSCEPTIBILITY OF THE MAJOR BIRCH POLLEN ALLERGEN BET V 1. Anna S. Kamenik , Florian Hofer, Klaus R. Liedl 2460-Pos Board B6 INVESTIGATING THE ROLE OF INTERFACIAL WATERS IN PROTEIN-PROTEIN RECOGNITION MECHANISM. Dhananjay C. Joshi , Jung-Hsin Lin 2461-Pos Board B7 SAXS SIGNATURES OF CONFORMATIONAL HETEROGENEITY AND HOMO- GENEITY OF DISORDERED PROTEIN ENSEMBLES. Jianhui Song, Jichen Li, Hue Sun Chan 2462-Pos Board B8 INTERACTIONS OF THE GDP DISSOCIATION STIMULATOR SMGGDS WITH KRAS: X-RAY SCATTERING AND ROSETTA DOCKING STUDIES AND DIFFER- ENCES IN INTERACTION OF TWO ISOFORMS WITH MEMBRANE-BOUND KRAS4B. Dennis J. Michalak , Ellen Lorimer, Bethany Unger, Carol L. Wil- liams, Frank Heinrich, Mathias Lösche 2463-Pos Board B9 Travel Awardee 19 F NMR STUDIES OF CYCLOPHILIN A AND ITS INTERACTION WITH HIV-1 CAPSID. Manman Lu , Tatyana E. Polenova, Angela M. Gronenborn 2464-Pos Board B10 PURIFICATION AND BIOPHYSICAL CHARACTERIZATION OF L YS E MEM- BRANE EXPORTER FROM MYCOBACTERIUM TUBERCULOSIS IN LIPODISCS MADE OF NATIVE E. COLI MEMBRANES AND DETERGENT.  Elka R. Georgieva , Christina Fanouraki, Peter P. Borbat 2465-Pos Board B11 EF-X IN SILICO - MODELING PROTEIN DYNAMICS IN AN ELECTRIC FIELD. Eugene Klyshko , Lauren McGough, Justin S. Kim, Rama Rangana- than, Sarah Rauscher 2466-Pos Board B12 CANCER ACTIVATING MUTATIONS IN STAT5B: ELUCIDATING THE IMPACT ON PROTEIN STRUCTURE AND DYNAMICS USING ATOMISTIC MOLECU- LAR SIMULATIONS. Deniz Meneksedag-Erol , Elvin D. de Araujo, Fettah Erdogan, Hyuk-Soo Seo, Sirano Dhe-Paganon, Patrick T. Gunning, Sarah Rauscher

2467-Pos Board B13 KINDLIN COOPERATES WITH TALIN FOR INTEGRIN ACTIVATION, A MO- LECULAR DYNAMICS APPROACH. Zainab Haydari , Hengameh Shams, Zeinab Jahed, Mohammad Mofrad 2468-Pos Board B14 UNDERSTANDING THE STRUCTURAL AND DYNAMIC CHANGES THAT RE- LIEVE INHIBITION OF IMPDH UPON HORIZONTAL TRANSFER OF A PATH- WAY FOR COUMARATE CATABOLISM IN E. COLI . Madhulika Gupta , Dan M. Close, Connor J. Cooper, Xingyou Wang, Payal Chirania, John R. Ossyra, Richard J. Giannone, Nancy L. Engle, Timothy J. Tschaplinski, Jeremy C. Smith, Lizbeth Hedstrom, Jerry M. Parks, Joshua K. Michener 2469-Pos Board B15 IDENTIFYING CONFORMATIONS OF AMYLOID PRECURSOR PROTEIN DIMER STRUCTURES. Alexander Gonzalez , Jacob B. Usadi, Esmael J. Had- dadian 2470-Pos Board B16 EXPLORING ARTIFICIALLY CONJUGATED UBIQUITIN DIMERS BY MEANS OF NMR SPECTROSCOPY AND MD SIMULATIONS. Tobias Schneider, Andrej Berg, Christine Peter, Michael Kovermann 2471-Pos Board B17 STRUCTURAL AND DYNAMIC ELUCIDATION OF NATURAL POLYREACTIV- ITY IN ANTIBODIES. Marta T. Borowska , Christopher T. Boughter, Erin J. Adams 2472-Pos Board B18 IN-SILICO EXPLORATION OF ANTIVIRAL LECTIN GRIFFITHSIN. Clarence B. Le , Patricia LiWang, Michael E. Colvin 2473-Pos Board B19 MOLECULAR DYNAMICS SIMULATIONS OF A 2.8-Å RESOLUTION CRYO-EM STRUCTURE OF THE ΑIIBΒ3-ABCIXIMAB COMPLEX. Aleksandar Spasic , Davide Provasi, Dragana Nesic, Yixiao Zhang, Jihong Li, Barry S. Coller, Thomas Walz, Marta Filizola 2474-Pos Board B20 COMPUTATIONAL STUDY OF THE MOLECULAR DETAILS OF EBOLA VIRUS MATRIX PROTEIN VP40 AND HUMAN SEC24C PROTEIN INTERACTION.  Nisha Bhattarai , Bernard S. Gerstman, Prem P. Chapagain 2475-Pos Board B21 Travel Awardee HOW L17A/F19A DOUBLE MUTATION DIMINISH AΒ 40 AGGREGATION IN ALZHEIMER’S DISEASE: KEY INSIGHTS FROMMOLECULAR DYNAMICS SIMULATIONS. Rajneet Kaur Saini 2476-Pos Board B22 USING MOLECULAR SIMULATION TO UNDERSTAND THE ROLE OF CON- SERVED RESIDUES IN AN EXTREMOPHILIC BETA-GALACTOSIDASE. Shahlo Solieva , Vincent A. Voelz 2477-Pos Board B23 CONFORMATIONAL TRANSITIONS OF HISTIDINE KINASES USING MO- LECULAR DYNAMICS. Fathia Idiris 2478-Pos Board B24 MD SIMULATION OF HIGH TEMPERATURE ENZYME ACTIVITY. Samin Tajik 2479-Pos Board B25 DETERMINING FACTORS THAT INFLUENCE VCCI LOOP INTERACTIONS IN VCCI-CHEMOKINE BINDING THROUGH MD SIMULATION. Lauren E. Stark , Patricia LiWang, Michael E. Colvin 2480-Pos Board B26 DEVELOPMENT OF THE CHARMM FORCE FIELD FOR CYCLOSPORINE A AND APPLICATION TO MOLECULAR DYNAMICS SIMULATIONS USING A MEMBRANE-WATER SYSTEM. Tsutomu Yamane , Ryo Takahashi, Akari Ito, Toru Ekimoto, Mitsunori Ikeguchi

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