BPS2026 Program Book

Systems-Level Imaging Approaches (Boards B385 - B386)

1859-Pos Board B396 ACCELERATING FREE ENERGY EXPLORATION USING PARALLELIZABLE ENHANCED SAMPLING METHODS. Siddharth Sonti , Surl-Hee Ahn 1860-Pos Board B397 MOLECULAR DYNAMICS STUDY OF BINDING FREE ENERGY SHIFT OF PROTEIN COMPLEXES INDUCED BY SINGLE AND DOUBLE MUTA TIONS. Kazutomo Kawaguchi 1861-Pos Board B398 CHARMM-GUI FREE-ENERGY CALCULATOR 2 FOR PROTEIN-LIGAND BINDING FREE-ENERGY SIMULATIONS. Donghyuk Suh , Wonpil Im 1862-Pos Board B399 CHARMM-GUI MEMBRANE BUILDER WITH MYCOBACTERIAL LIPIDS. Nathaniel Rygh , Wonpil Im 1863-Pos Board B400 LOOS: A SUITE FOR ANALYZING MOLECULAR DYNAMICS SIMULA TIONS. Alan Grossfield , Tod D. Romo, Louis G. Smith, Akshara Sharma 1864-Pos Board B401 Travel Award Winner SIMULATING PH-DEPENDENT MEMBRANE BEHAVIOR THROUGH CO TITRATION OF PROTEINS AND LIPIDS IN CPHMD. Ernesto Tavares Neto , Noora Aho, Marcel Aguilella-Arzo, Jochen S. Hub, Vicente M. Aguilella 1865-Pos Board B402 MOLECULAR DYNAMICS SIMULATIONS AS AN AID IN PREDICTION OF T CELL RECEPTOR EFFICACY. Lauren Wu , Stella Lee, Steven P. Wolf, Shireen S. Ardekani, Stephen C. Meredith, Esmael J. Haddadian 1866-Pos Board B403 ANALYZING MOLECULAR INTERACTIONS BETWEEN TDP1 AND CDK1. Ingyin Myat , Aykut Üren, Purushottam Tiwari 1867-Pos Board B404 CALCIUM COORDINATION ENHANCES PROTEIN MECHANOSTABILITY THROUGH POLARIZATION EFFECTS. Walter F.S. Filho , Diego E. Barreto Gomes, Rafael C. Bernardi 1868-Pos Board B405 INHIBITION OF THE AMYLOID BETA PROTEIN AGGREGATION WITH POLYPHENOL DRUGS USING COMPUTATIONAL CHEMISTRY. Gage J. Dudkowski , Bill Miller 1869-Pos Board B406 Travel Award Winner CGRIG: A COARSE-GRAINED RIGID-BODY MOLECULAR DYNAMICS SIMU LATION SOFTWARE FOR LONG-TIME AND LARGE-SCALE BIOLOGICAL PHENOMENA CONSIDERING PROTEIN ANISOTROPY. Yosuke Teshirogi , Tohru Terada 1870-Pos Board B407 SCALABILITY OF THE GAUSS-LEGENDRE-SPHERICAL-T ALGORITHM FOR LONG-RANGE ELECTROSTATIC INTERACTIONS. James E. Gonzales , Wonmuk Hwang, Bernard R. Brooks 1871-Pos Board B408 MEF2A BINDING PEPTIDE TO BLOCK HDAC7-MEF2A INTERACTIONS. Sophia Wang , Ingyin Myat, Aykut Üren, Purushottam Tiwari 1872-Pos Board B409 SAMPLING FIBRIL-LIKE STATES FROM AN AMYLOID-Β MONOMER USING A DATA-DRIVEN COLLECTIVE VARIABLE. Patrick C. Gilles , Justin A. Lemkul 1873-Pos Board B410 IMPACT OF CROWDING AND CONFINEMENT ON THE CONFIGURATION AND FUNCTION OF TRIOSEPHOSPHATE ISOMERASE. Ananya Chakraborti , Michael Feig

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1848-Pos Board B385 AN ADVANCED MICROSCOPY PLATFORM FOR IDENTIFICATION AND PHENOTYPING OF BREAST CANCER CELLS. Francesco Fersini 1849-Pos Board B386 PHYSICS LESSONS FROM WORMS: HOW C. ELEGANS USE A SET OF ELECTROMAGNETIC SIGNALS TO “SEE” WATER AT LONG RANGE. Laura Persson , Angie Li, Hamish Mehaffety, Simo Makiharju, Noelle L’Etoile Experimental Approaches and Tools in Neuroscience (Boards B387 - B391) 1850-Pos Board B387 THE TWO-PHOTON POLARIZATION RATIO EXPLAINS UNUSUAL SHAPE OF THE TWO-PHOTON ABSORPTION SPECTRA OF FLUORESCENT DYES AND DETECTS WEAK EXCITONIC COUPLING IN FLUORESCENT PROTEIN DIMERS. Mikhail Drobizhev , Anna Cusick, Adam Thuen, Stuart Schultz, Henry L. Puhl, Steven S. Vogel, Kirk Hines, Youngchan Kim 1851-Pos Board B388 A BACTERIAL ASSAY FOR SCREENING SMALL MOLECULES THAT SE LECTIVELY TARGET PATHOGENIC CAG-REPEAT RNA IN HUNTINGTON’S DISEASE. Elizabeth Kraichely , Sungah Kim, Jen-Chieh Wang, Kyung W. Jung, Peter J. Chung 1852-Pos Board B389 CHARACTERIZATION OF A NOVEL PHOSPHOROUS RHODAMINE DYE FOR OPTICAL VOLTAGE SENSING. Meike Höhl, Sumeyye Suheda Yasarbas , Victoria Cappellari, Cristian Strassert, Antonios Pantazis, Anna Junker 1853-Pos Board B390 Travel Award Winner ENGINEERING FAR-RED GENETICALLY ENCODED VOLTAGE INDICATORS FOR IN VIVO IMAGING. Flavia Maria Galeazzi , Eric W. Salter, Mohamed S. Abdelfattah, Ahmed S. Abdelfattah 1854-Pos Board B391 IGLU3FAST AND IGLU3SLOW, IMPROVED FLUORESCENT REPORTERS FOR DETECTION OF SPONTANEOUS GLUTAMATE ACTIVITY IN THE BRAIN. Oanh Tran, Sara Bertelli, Holly J. Hughes, Laura Rocha Labres, Tom D. Carter, Andrew J. Plested, Katalin Torok Molecular Dynamics I (Boards B392 - B417) 1855-Pos Board B392 EXTENSIVE MOLECULAR DYNAMICS SIMULATIONS OF THE PEPTIDE BINDING PATHWAY TO ABL KINASE AS A BASIS FOR THERAPEUTIC PEP TIDE DESIGN. Yichao Wu, Ai Shinobu 1856-Pos Board B393 SEQUENCE-DEPENDENT DNA CONFORMATIONAL BASIS FOR SEQUENCE SPECIFIC CLEAVAGE BY TYPE II TOPOISOMERASES. Mihirkumar N. Praj apati , Ian L. Morgan, Jonathan Silver, Siddhartha Das, Keir C. Neuman 1857-Pos Board B394 GENOME-INFORMED MOLECULAR SIMULATIONS REVEAL MECHANIS TIC LINKS BETWEEN ONCOGENIC KINASE MUTATIONS, STRUCTURAL DYNAMICS, AND DRUG RESISTANCE. Mitsugu Araki , Yasushi Okuno 1858-Pos Board B395 Travel Award Winner SEQUENCE-DEPENDENT COOPERATIVITY IN THE HUB PROTEIN LC8 EXAMINED VIA ISOTHERMAL TITRATION CALORIMETRY AND MOLECU LAR DYNAMICS SIMULATIONS. Shelby Case , Douglas Walker, Lisa Otten, Elisar J. Barbar, Daniel M. Zuckerman

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