BPS2024 Full Program & Abstracts

Protein Structure and Conformation IV (Boards B1 - B22)

2622-Pos Travel Award Winner FLIPPED OVER U: STRUCTURAL BASIS FOR DSRNA CLEAVAGE BY THE SARS-COV-2 ENDORIBONUCLEASE. Meredith N. Frazier , Monica Pillon, Lucas Dillard, Juno Krahn, Isha Wilson, Jason Williams, Lalith Perera, Kevin John Butay, Leesa Deterding, Mario J. Borgnia, Robin Stanley 2623-Pos Board B15 NATIVE ENTANGLEMENT MISFOLDING CAN CAUSE A LOSS-OF-FUNC TION IN ESSENTIAL PROTEINS. Ian M. Sitarik , Edward P. O’Brien 2624-Pos Board B16 MOLECULAR SIMULATIONS OF THE INFLUENCE OF CROWDERS ON ENZYMES: FROM DOMAIN MOTION TO THE ACTIVE SITE. Eva Pluha rova , Stepan Timr, Zuzana Sochorova Vokacova, Human A. Nori, Kristin M. Slade 2625-Pos Board B17 DIMERIZATION AFFECTS THE DEACYLASE ACTIVITIES OF HUMAN SIR TUIN-2 (SIRT2). Jie Yang , Nathan I. Nicely, Brian P. Weiser 2626-Pos Board B18 CONFORMATIONAL DYNAMICS OF HENIPAVIRUS FUSION PRO TEINS. Aaron J. May , Priyanka Devkota, Xiao Huang, Salam Sammour, Katarzyna Janowska, Kijun Song, Priyamvada Acharya 2627-Pos Board B19 FORCE-REGULATED CONFORMATIONAL CHANGES OF ΑIIBΒ3 AND ΑVΒ3 INTEGRINS: INSIGHTS FROM EQUILIBRIUM AND ENHANCED MOLECU LAR DYNAMICS SIMULATIONS. Reza Kolasangiani , Khashayar Farzanian, Martin Schwartz, Tamara Bidone 2628-Pos Board B20 ELUCIDATING THE CONFORMATIONAL AND BINDING DYNAMICS OF STAPLED PEPTIDES: INSIGHT FROM ENHANCED SAMPLING. Asha R. Choudhury 2629-Pos Board B21 CRYSTAL STRUCTURES OF AN HIV-1 REVERSE TRANSCRIPTASE SECOND STRAND INITIATION COMPLEX WITH AND WITHOUT NON-NUCLEOSIDE INHIBITORS MAY EXPLAIN SLOW NUCLEOTIDE INCORPORATION AND HIGH SENSITIVITY TO INHIBITION. Shawn Rumrill , Francesc X. Ruiz, Eddy Arnold 2630-Pos Board B22 THE ROLE OF HEPARIN IN SPIKE SARS-COV-2 INFECTION: FROM A MOD EL FOR HEPARAN SULFATES TO A STARTING STRUCTURE FOR ANTIVI RALS. Giulia Paiardi , Maria Milanesi, Matheus Ferraz, Liv Zimmermann, Chiara Urbinati, Pasqua Oreste, Francesca Caccuri, Petr Chlanda, Marco Rusnati, Rebecca C. Wade Protein-Small Molecule Interactions II Boards B23 - B45) 2631-Pos Board B23 PARSING MECHANISMS OF CANCER DRUG RESISTANCE USING DISTRIB UTED SUPERCOMPUTING. Sukrit Singh 2632-Pos Board B24 A MOLECULAR DYNAMICS STUDY COMPARING THE INTERACTIONS OF FOUR MAJOR PDE5 INHIBITORS WITH PDE5/PDE6. Seunghun Song , Soon Woo Park, Byung Ho Lee, Moon K. Kim 2633-Pos Board B25 COMPUTATIONAL ASSESSMENT OF POTENTIAL NONPEPTIDIC INHIBI TORS FOR PLK1 POLO BOX DOMAIN. Tugba G. Kucukkal , Monsurat Lawal Board B14

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2609-Pos Travel Award Winner MOLECULAR MECHANISM OF HOLLIDAY JUNCTION BRANCH MIGRA TION. Anthony Rish , Zhangfei Shen, Zhenhang Chen, Tianmin Fu 2610-Pos Board B2 Travel Award Winner BIUX2X2. Tej K. Sharma , Michael Cioffi, Bernard S. Gerstman, Robert V. Stahelin, Prem P. Chapagain 2611-Pos Board B3 UNDERSTANDING ENGULFMENT OF ANTIFREEZE PROTEINS BY ICE. Yusheng Cai , Aniket Thosar, Sean Marks, Zachariah Vicars, Jeong moon Choi, Akash Pallath, Amish Patel 2612-Pos Board B4 Travel Award Winner STRUCTURAL INSIGHTS INTO CROSS-REACTIVE ANTIBODIES RECOGNIZ ING THE N-TERMINAL AND RECEPTOR BINDING DOMAINS OF THE SARS COV-2 SPIKE GLYCOPROTEIN. Adonis Rubio , Morgan Abernathy, Yu Erica Lee, Teresia Chen, Christopher O. Barnes 2613-Pos Board B5 REWEIGHTING METHODS FOR ELUCIDATION OF CONFORMATIONAL ENSEMBLES OF PROTEINS. Raquel Gama Lima Costa , R. Andrew Byrd, David Fushman 2614-Pos Board B6 PREDICTING CONFORMATIONAL TRANSITIONS ALONG HIGHLY ANHAR MONIC VIBRATIONAL MODES. Souvik Mondal , Michael Sauer, Matthias Heyden 2615-Pos Board B7 Travel Award Winner EXPERIMENT AND SIMULATIONS REVEAL RESIDUE DETAILS FOR HOW TARGET BINDING TUNES CALMODULIN’S CALCIUM BINDING PROPER TIES. Jules Berlin Nde Kengne , Pengzhi Zhang, Neal Waxham, Margaret Board B8 CHARTING THE CONFORMATIONAL DYNAMICS OF HUMAN FATTY ACID SYNTHASE USING CRYO-EM. Naimul Hasan , Alexander Keszei, Moham mad Mazhab-Jafari 2617-Pos Board B9 DISSECTING THE CONFORMATIONAL ENSEMBLE OF LC3B STATES IN MEMBRANE TETHERING AND RECEPTOR BINDING. Deepanshi Gahlot , Lipi Thukral 2618-Pos Board B10 Travel Award Winner ELUCIDATING THE MECHANISM OF NLRP3 INFLAMMASOME INTER ACTION WITH MITOCHONDRIAL DNA. Angela Cabral, Julia E. Cabral, Reginald McNulty 2619-Pos Board B11 FUSION PEPTIDE DYNAMICS DURING RECEPTOR-INDUCED CONFORMA TIONAL CHANGES IN THE HIV-1 ENVELOPE. Bhishem Thakur , Katarzyna Janowska, Priyamvada Acharya 2620-Pos Board B12 Travel Award Winner PLEIOTROPHIN’S INTERACTION WITH Α M -I DOMAIN OF INTEGRIN Α M Β 2 IS ACTIVATION STATE DEPENDENT. hoa nguyen , Xu Wang, Tatiana Uga rova, Nataly Podolnikova 2621-Pos Board B13 CRYO-EM ASSISTS IN CAPTURING ALL THE INTERMEDIATE STEPS OF PORE FORMATION BY BACTERIAL PORE-FORMING TOXINS ON THE PLASMA MEMBRANE. Somnath Dutta , Arnab Chatterjee, Anupam Roy, Prithiv Kishore, Bapan Mondal, Partho P. Das Board B1 S. Cheung 2616-Pos

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