BPS2024 Full Program & Abstracts

Board S163 EXTRACTING 3D RNA STRUCTURAL INFORMATION FROM DIMETHYL SULFATE (DMS) CHEMICAL MAPPING USING DEEP LEARNING. D. H. Sanduni Deenalattha (446 Pos / B212) Board S164 GENERATING IN SILICO PROTEIN STRUCTURAL ENSEMBLES THAT AGREE WITH SOLUTION-BASED EXPERIMENTS: AN HDX-MS-STEERED ADAPTIVE SAMPLING APPROACH FOR MOLECULAR DYNAMICS. Ally K. Smith (2382 Pos / B532) Board S165 GRAND CANONICAL SIMULATIONS OF DISORDERED PROTEINS. Rodrigo F. Dillenburg (772 Pos / B538) Board S166 INVESTIGATING POTENTIAL DRUG TARGETS IN THE PIM1 PROMOTER G-QUADRUPLEX. Rebekah Fogarty (3064 Pos / B456) Board S167 K-MEANS CLUSTERING COARSE-GRAINING (KMC-CG): A NEXT GENERA TION METHODOLOGY FOR DETERMINING OPTIMAL COARSE-GRAINED MAPPINGS OF LARGE BIOMOLECULES. Jiangbo Wu (773 Pos / B539) Board S168 LIPID MEDIATED ENTRY OF ANTIBIOTICS IN EMRE. Jessica Bodosa (771 Pos / B537) Board S169 MECHANISTIC AND THERMODYNAMIC CHARACTERIZATION OF DY NAMIC TOPOLOGY IN AN UNASSEMBLED TRANSMEMBRANE PROTEIN. ByungUk Park (2075 Pos / B224) Board S170 METAL ION SENSING IN SECONDARY RNA TETRALOOP: ROLE OF BACK BONE FLEXIBILITY AND INNER-SHELL BOUND STRUCTURAL INTERMEDI ATES. Sk Habibullah (453 Pos / B219) Board S171 MODELING SHEAR BANDING LIPID MONOLAYER COLLAPSE WITH FINITE ELEMENT ANALYSIS. Anna D. Gaffney (723 Pos / B489) Board S172 MYO-INOSITOL SUPPRESSES ΓD-CRYSTALLIN AGGREGATION BY INTER ACTING WITH A NON-NATIVE STATE. Constance Kraay (286 Pos / B52) Board S173 REWEIGHTING METHODS FOR ELUCIDATION OF CONFORMATIONAL ENSEMBLES OF PROTEINS. Raquel Gama Lima Costa (2613 Pos / B5) Board S174 ROLE OF ELECTROSTATIC ENVIRONMENT IN MODULATING STRUCTURAL DYNAMICS AND LIGAND BINDING IN MICROBIAL CGDAPF. Sunita Muduli (1121 Pos / B74) Board S175 STRUCTURAL PREDICTIONS OF RNA CONFORMATIONS: MELD-RNA. Reza Esmaeeli (450 Pos / B216)

Board S176 STUDYING OMPF CHANNEL TITRATION USING CONSTANT PH MOLECU LAR DYNAMICS SIMULATIONS. Ernesto Tavares Neto (769 Pos / B535) Board S177 THE BINARY-SWITCH MODEL OF THE ADENOSINE A2A RECEPTOR: A

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MOLECULAR DYNAMICS STUDY. Yousuf O. Ramahi (2704 Pos / B96) Board S178

THE STATE-DEPENDENT BINDING OF POLYUNSATURATED FATTY ACIDS AND A NOVEL MODULATION MECHANISM ON ASIC CHANNELS. Ramya Bandarupalli (2100 Pos / B249) Board S179 USING POLYMER PHYSICS QUANTITIES TO MAP CONFORMATIONAL LANDSCAPES OF DISORDERED PROTEINS. Hossain Shadman (1863 Pos / B12)

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