Biophysical Society 66th Annual Meeting Program Guide

2553-Pos Travel Award Winner RADIATIVE AND NON-RADIATIVE DECAY PATHWAYS OF N -CYANOINDOLE FLUORESCENT PROBES IN AQUEOUS SOLUTION. Salsabil Abou-Hatab 2554-Pos Board B384 CURIOSITY: A TOOL FOR EXPLORING DENSITY FEATURES IN CRYSTALLO - GRAPHIC AND CRYOEMMAPS. Iris D. Young , James S. Fraser 2555-Pos Board B385 URGENT COMPUTING AND FAIR SHARING OF MOLECULAR-LEVEL STRUC - TURE AND DYNAMICS IN COVID TIMES. Marc Baaden 2556-Pos Board B386 TOWARDS DEEP LEARNING MODELS FOR TARGET-SPECIFIC ANTIBODY DESIGN. Sai Pooja Mahajan , Jeffrey Ruffolo, Rahel Frick, Jeffrey J. Gray 2557-Pos Board B387 DEEP LEARNING ACCELERATES DISCOVERY OF NOVEL MODULATORS TARGETING CARDIAC CALCIUM TRANSPORT. Carlos Cruz Cortes , L. Michel Espinoza-Fonseca, Guadalupe Guerrero-Serna 2558-Pos Board B388 DEVELOpmENT OF DEEP LEARNING BASED QSAR MODELS FOR THE IDENTIFICATION OF NOVEL ANTI-CANCER THERAPEUTICS AGAINST MA - LIGNANT GLIOMA FROM ULTRA LARGE LIBRARIES. Mehreen Zaka, Fareed Mohammed Ali Fareed Fareed, Serdar Durdagi 2559-Pos Board B389 USING MOLECULAR DYNAMICS AND POPULATION-BASED ENERGY TERMS TO IMPROVE COMPUTATIONAL DOCKING, WITH APPLICATIONS TO SELEC - TIVITY. Matthew S. Smith 2560-Pos Board B390 ALCHEMICAL BINDING FREE ENERGY CALCULATIONS GUIDED DESIGN OF NOVEL HUMAN TOPOISOMERASE II INHIBITORS. Ankita Sarkar , Pietro Vidossich, Marco De Vivo 2561-Pos Board B391 DEEP LEARNING-BASED SUBCELLULAR PHENOTYPING OF PROTRUSION DYNAMICS REVEALS FINE DIFFERENTIAL DRUG RESPONSES AT SUBCEL - LULAR AND SINGLE-CELL LEVELS. Chuangqi Wang, Hee June Choi, Lucy S. Woodbury, Kwonmoo Lee 2562-Pos Board B392 CHARMM-GUI MULTICOMPONENT ASSEMBLER FOR MODELING AND SIMULATION OF COMPLEX MULTICOMPONENT SYSTEMS. Nathan R. Kern , Jumin Lee, Yeol Kyo Choi, Wonpil Im 2563-Pos Board B393 MODELING THE MESOSCOPIC CONSEQUENCES OF SPECIFIC INTERAC - TIONS ON BIOMEMBRANES. Christoph Allolio , Balázs Fábián, Mark Dostalík 2564-Pos Board B394 IMMOBILIZATION IN SINGLE-PARTICLE TRACKING (SPT): ESCAPE FROM THE POINT SPREAD FUNCTION (PSF) OF THE MICROSCOPE. Michael J. Saxton 2565-Pos Board B395 ANALYSIS OF CONDITIONAL COLOCALIZATION RELATIONSHIPS AND HIER - ARCHIES FROM THREE-COLOR MICROSCOPY IMAGES. Jesus Vega-Lugo , Bruno da Rocha-Azevedo, Aparajita Dasgupta, Nicolas Touret, Khuloud Board B396 USING STATISTICAL DISCRIMINATION TO DISTINGUISH BETWEEN FLUO - RESCENCE IMAGES OF T CELL RECEPTORS IMMOBILIZED ON DIFFERENT SURFACE CONDITIONS. Badeia Saed , Rangika Munaweera, William D. O'Neill, Ying Hu Board B383 Jaqaman 2566-Pos

2540-Pos Board B370 MECHANISM BY WHICH A CYCLIC-NUCLEOTIDE GATED ION CHANNEL DISCRIMINATES BETWEEN NUCLEOTIDES REVEALED BY AFM FORCE SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATIONS. Yangang Pan, Philipp Schmidpeter, Emmi Pohjolainen , Andrea C. Vaiana, Helmut Grubmuller, Crina M. Nimigean, Simon Scheuring 2541-Pos Board B371 MOLECULAR DYNAMICS SIMULATIONS OF INORGANIC PHOSPHATE AND ADP RELEASE FROM F 1 -ATPASE. Matthew A. Anderson , Sandor Volkan- Kacso 2542-Pos Board B372 MOLECULAR DYNAMICS SIMULATION STUDIES OF HUMAN DGAT1 AND ITS SUBSTRATES, ACYL-COA AND DIACYLGLYCEROL. Hwayoung Lee , Ming Zhou, Wonpil Im 2543-Pos Board B373 MOLECULAR MECHANISMS FOR STRENGTHENING E-CADHERIN ADHE - SION USING A MONOCLONAL ANTIBODY. Bin Xie , Andrew V. Priest, Allison Maker, Barry Gumbiner, Sanjeevi Sivasankar 2544-Pos Board B374 CHARACTERIZING THE ROLES OF CHEMO-MECHANICAL COUPLINGS IN THE DIFFERENTIAL BEHAVIOR OF SARS-COV-1 AND SARS-COV-2 SPIKE GLYCOPROTEIN. Ugochi H. Isu , Vivek Govind Kumar, Mortaza Derakhshani- Molayousefi, Adithya Polasa, Mahmoud Moradi 2545-Pos Board B375 PROBING THE ROLE OF NON-SPECIFIC INTERACTIONS IN PROMOTING FUNCTIONAL PROTEIN-PROTEIN COMPLEXES. Rakesh K , Srivastav Ranga - nathan, Samir K. Maji, Ranjith Padinhateeri 2546-Pos Board B376 ADDITIVITY IN THE HELIX-COIL TRANSITION OF ALPHA-HELICAL PEPTIDES WITH VARYING LENGTH. Yi Zhuang 2547-Pos Board B377 GOING THROUGH CHANGES: EFFECT OF PHOSPHOSERINE ON SECONDARY STRUCTURE PREFERENCE AND DIPOLE-DIPOLE INTERACTIONS IN MODEL PEPTIDES. Laura I. Gil Pineda , Darcy S. Davidson, Marcelo D. Polêto, Justin Board B378 THE EFFECTS OF BIOMOLECULAR CROWDING ON THE BEHAVIOUR OF POLYMYXIN ANTIBIOTICS WITHIN THE E. COLI CELL ENVELOPE. Iain P.S. Smith , Conrado Pedebos, Syma Khalid 2549-Pos Board B379 MOLECULAR DYNAMICS MODELING OF POLYSTYRENE FUNCTIONALIZED CARBON NANOTUBES. Gülsah Gül , Roland Faller, Nazar Ileri-Ercan 2550-Pos Board B380 FINE-TUNING PROTEIN MECHANOSTABILITY WITH AI-DRIVEN IN SILICO SINGLE-MOLECULE APPROACHES. Rafael C. Bernardi Computational Methods and Bioinformatics II (Boards B381 - B408) 2551-Pos Board B381 RECONSTRUCTION OF SOLVENT STRUCTURE: CONTRIBUTION OF HIGHER- ORDER PROXIMAL DISTRIBUTION FUNCTIONS. Razie Yousefi , Gillian C. Lynch, Madeline Galbraith, B. Montgomery Pettitt 2552-Pos Board B382 ADVANCING MM/PBSA CALCULATIONS WITH MACHINE LEARNING AND CUDA GPUS. Haixin Wei , Zekai Zhao, Ray Luo A. Lemkul 2548-Pos

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