BPS2024 Full Program & Abstracts

Protein Structure and Conformation III (Boards B1 - B27)

1866-Pos Board B15 THE A39G FF DOMAIN FOLDS ON A VOLCANO-SHAPED FREE ENERGY SURFACE VIA SEPARATE PATHWAYS. Ved P. Tiwari 1867-Pos Board B16 REGULATION OF MITOTIC CHECKPOINT PROTEIN MAD2 BY ITS INTER ACTING PARTNERS. Jayasha Shandilya 1868-Pos Board B17 SARS-COV-2 NSP3 C-TERMINAL REGION: CONSERVED BEYOND CORO NAVIRUS WITH POTENTIAL ROLE IN DMV PORE FORMATION. Yulia Pustovalova , Alexandra Pozhidaeva, Jeffrey C. Hoch 1869-Pos Board B18 COMPUTATIONAL STUDIES OF M. SMEGMATIS TOP1A OPEN TO CLOSED TRANSITION. Deepesh Sigdel , K. Maria Mills 1870-Pos Board B19 Travel Award Winner BIOPHYSICAL ORIGIN OF ADENINE BASE EDITORS’ IMPROVED EDITING EFFICIENCY. Pablo R. Arantes , Souvik Sinha, Xiaoyu Chen, Aakash Saha, Amun C. Patel, Matthew Sample, Lukasz Nierzwicki, Audrone Lapinaite, Giulia Palermo 1871-Pos Board B20 COMPREHENSIVE ANALYSIS OF SPIKE PROTEIN MUTATIONS IN CORONA VIRUS SUBVARIANTS REVEALS NEWLY EMERGING CHANGE IN MODE OF ENTRY AND ESTABLISHMENT OF INFWCTION IN HOSTS. Asmaa Awan , Roshan Paudel 1872-Pos Board B21 THE ROLE OF ATP HYDROLYSIS AND PRODUCT RELEASE IN THE TRANS LOCATION MECHANISM OF SARS-COV-2 NSP13. Priti Roy , Monsurat M. Lawal, Martin McCullagh 1873-Pos Board B22 ELECTRIC-FIELD INDUCED MOTIONS OF A PDZ DOMAIN PROTEIN CRYSTAL SIMULATED USING ALL-ATOM MOLECULAR DYNAMICS. Justin S. Kim , Eugene Klyshko, Lauren McGough, Rama Ranganathan, Sarah Board B23 ALTERED FREE ENERGY LANDSCAPE OF INSULIN DEGRADING ENZYME IN THE PRESENCE OF INSULIN: A MOLECULAR DYNAMICS STUDY. David Dang , Esmael J. Haddadian 1875-Pos Board B24 STRUCTURAL CHARACTERIZATION OF PHOSPHORYLATION SITES OF THE MLKL PROTEIN USING MOLECULAR DYNAMICS. Ricardo X. Ramirez , Viviana Monje-Galvan 1876-Pos Board B25 INFLUENCE OF THE SELECTIVITY FILTER SERINE AND THREONINE RESIDUES ON THE STABILITY AND CONDUCTIVITY OF HUMAN SMALL CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS. Woori Choi , Ryan L. Woltz, Igor V. Vorobyov, Nipavan Chiamvimonvat 1877-Pos Board B26 STRUCTURAL DETERMINANTS OF PATHOGENESIS IN THE RING DOMAIN OF BRCA1. Bhupendra R. Dandekar , Ayan Bhattacharjee 1878-Pos Board B27 DISCOVERING INHIBITORS AGAINST HUMAN NOROVIRUS PROTEIN TARGET 3CL PRO USING LIGAND-PROTEIN DOCKING. Zanab Rizwan Rauscher 1874-Pos

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1852-Pos Board B1 MOLECULAR INSIGHTS INTO THE EFFECT OF POINT MUTATION IN GUA NYLATE KINASE. Zahra Alavi 1853-Pos Board B2 ENSEMBLE-BASED ENERGETIC DIFFERENCES BETWEEN PROTEIN DATA BANK STRUCTURES AND ALPHAFOLD2 MODELS. James O. Wrabl , Mar tin Hilser, Vincent J. Hilser 1854-Pos Board B3 THE CONFORMATIONAL LANDSCAPE OF AΒ 10-35 FROM CONVENTIONAL AND WEIGHTED ENSEMBLE SIMULATIONS WITH THE DRUDE POLARIZ ABLE FORCE FIELD. Ashley Goodberlet , Justin A. Lemkul 1855-Pos Board B4 CONFIRMING THE ROLE OF PHD FINGER BINDING SITE COEVOLVING RESIDUES WITH MD SIMULATIONS. Maral Afshinpour , Ujwal Subedi, Suvobrata Chakravarty 1856-Pos Board B5 DETERMINING STABLE DIMERIC CONFIGURATIONS OF PROTEINS AND PREDICTING BINDING HOTSPOTS USING MOLECULAR SIMULA TIONS. Hemant Nagar , Ramin Mehrani, Jagannath Mondal, Douglas J. Goetz, Sumit Sharma 1857-Pos Board B6 BUILDING REALISTIC MODELS AND COMPUTATIONAL TOOLS TO MODEL ELECTRON TRANSFER PROCESSES IN BACTERIAL NANOWIRES. Atanu Acharya 1858-Pos Board B7 DRIVING ALPHAFOLD TO SAMPLE DIFFERENT HERG CHANNEL CON FORMATIONS: INSIGHTS INTO STATE-SPECIFIC DRUG INTERACTIONS AND CHANNEL GATING DYNAMICS. Khoa Ngo , Vladimir Yarov-Yarovoy, Colleen E. Clancy, Igor V. Vorobyov 1859-Pos Board B8 AI-ENHANCED PROTEIN CONFORMATIONAL ANALYSIS. Parisa Mollaei , Amir Barati Farimani 1860-Pos Board B9 CONFORMATIONAL DYNAMICS OF CAMKII WITH DIFFERENT LINK ERS. Kairong Dong , Bao Nguyen, Margaret Stratton, Jianhan Chen 1861-Pos Board B10 ATOMISTIC SIMULATIONS OF SEC24C BINDING TO THE HIV CAPSID. Dan iel E. Santos , Lorenzo Foglia, Alvin Yu 1862-Pos Board B11 MOLECULAR DYNAMICS STUDY OF Α7 NICOTINIC ACETYLCHOLINE RE CEPTOR. Nauman H. Sultan , Ada Y. Chen, Claudio F. Grosman, Bernard R. Brooks, Ana Damjanovic 1863-Pos Board B12 USING POLYMER PHYSICS QUANTITIES TO MAP CONFORMATIONAL LANDSCAPES OF DISORDERED PROTEINS. Hossain Shadman , Jesse D. Ziebarth, Yongmei Wang 1864-Pos Board B13 CASTPFOLD: COMPUTED ATLAS OF SURFACE TOPOGRAPHY OF ALPHA FOLDED PROTEINS. Bowei Ye , Wei Tian, Boshen Wang, Jie Liang 1865-Pos Board B14 ALL-ATOM SIMULATIONS REVEAL INCREASED CONFORMATIONAL HET EROGENEITY FOR RRM MUTANTS. Busra Ozguney , Priyesh Mohanty, Jeetain Mittal

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