Program Book

2025-P os B oard #B755 RADIOLUMINESCENCE MICROSCOPY: MEASURING THE HETEROGENEOUS UPTAKE OF RADIOTRACERS IN SINGLE LIVING CELLS. Silvan C. Türkcan , Guillem Pratx 2026-P os B oard #B756 QUANTITATIVE STORM USING ORGANIC DYES. Veronica Pessino , Wei Qiang Ong, Bo Huang 2027-P os B oard #B757 MN 2+ INDUCED TRIPLET BLINKING AND PHOTOBLEACHING OF SINGLE MOLECULE CYANINE DYES. Monika A. Ciuba , Elana M.S. Stennett, Marcia Levitus 2028-P os B oard #B758 AN OPTIMIZED AZIMUTHAL SCANNING PLATFORM FOR TIRF AND HILO IMAGING. Avtar Singh , Eli A. Doris, Alex Song, Warren R. Zipfel 2029-P os B oard #B759 CATHODOLUMINESCENCE-ACTIVATED IMAGING BY RESONANCE ENERGY TRANSFER: A NEW APPROACH TO IMAGINGNANOSCALE AQUEOUS BIODYNAMICS. Connor G. Bischak , David M. Kaz, Craig L. Hetherington, Jake T. Precht, Xavier Marti, James D. Clarkson, Carolina Adamo, Darrell G. Schlom, Ramamoorthy Ramesh, Shaul Aloni, D. Frank Ogletree, Naomi S. Ginsberg 2030-P os B oard #B760 PROFILING CANCER CELL INTRINSIC FLUORESCENCE WITH THE SPECTRAL CAMERA- PHASOR ANALYSIS METHOD. Michelle A. Digman , Enrico Gratton, Hongtao Chen B oard #B761 NUMERICAL LANGEVIN SIMULATIONS: EQUILIBRIUM DYNAMICS AND NONEQUILIBRIUM THERMODYNAMICS. David A. Sivak , John D. Chodera, Gavin E. Crooks 2032-P os B oard #B762 ATOMISTIC SIMULATIONS OF GEL AND LIQUID CRYSTALLINE LIPID BILAYERS. Richard Tjörnhammar, Olle Edholm 2033-P os B oard #B763 CALCULATIONS OF THE ELECTRIC FIELD IN SOLUTIONS AND PROTEINS WITH POLARIZABLE FORCE FIELDS. Stephen D. Fried , Lee-Ping Wang, Steven G. Boxer, Vijay S. Pande 2034-P os B oard #B764 FATSLIM: ANALYSIS OF LIPID MEMBRANE MD SIMULATIONS MADE EASY. Sebastien Buchoux 2035-P os B oard #B765 SYSTEMATIC IMPROVEMENT ON THE CLASSICAL MOLECULAR MODEL OF WATER. Lee-Ping Wang , Teresa Head-Gordon, Jay Ponder, Pengyu Ren, John Chodera, Peter Eastman, Todd J. Martinez, Vijay S. Pande 2036-P os B oard #B766 SIMULATIONS OF NANO-SIZED WATER DROPLETS IN THE EXTERNAL ELECTRIC FIELD. Jane HyoJin Lee , Mayya Tokman, Michael E. Colvin 2037-P os B oard #B767 RATE CONSTANTS, TIME SCALES, AND FREE ENERGY LANDSCAPES IN THERMALLY ACTIVATED PROCESSES. Peter Salamon , Bjarne Andresen, Anca Segall, Johann Christian Schön  Molecular Dynamics I (Boards #B761–#B783) 2031-P os

2038-P os B oard #B768 GNEIMO-FIXMAN: AN ACCURATE TORSIONAL MOLECULAR DYNAMICS SIMULATION METHOD FOR STUDYING BIOMOLECULAR DYNAMICS. Saugat Kandel, Adrien B. Larsen, Jeffrey E. Wagner, Abhinandan Jain, Nagarajan Vaidehi 2039-P os B oard #B769 AUTOMATED OPTIMIZATION OF POTENTIAL PARAMETERS. Michele Di Pierro , Ron Elber 2040-P os B oard #B770 HOWMUCH PRE-POLARIZATION IS IDEAL FOR FIXED-CHARGE MD SIMULATIONS? Paul S. Nerenberg , Jonathan K. Steck, David C. Wych 2041-P os B oard #B771 ADAPTIVE BIASING COMBINED WITH HAMILTONIAN REPLICA EXCHANGE TO IMPROVE UMBRELLA SAMPLING FREE ENERGY SIMULATIONS. Fabian T. Zeller 2042-P os B oard #B772 ADAPTIVE LAMBDA SQUARE DYNAMICS SIMULATION: AN EFFICIENT CONFORMATIONAL SAMPLING METHOD FOR BIOMOLECULES. Jinzen Ikebe , Shun Sakuraba, Hidetoshi Kono 2043-P os B oard #B773 QM/MM SIMULATIONS OF MG AND ZN SOLVATION. Saleh Riahi , Christopher N. Rowley 2044-P os B oard #B774 RELAXATION MODE ANALYSIS FOR A PEPTIDE. Ayori Mitsutake 2045-P os B oard #B775 SPACE-TIME CHARACTERISTICS OF THE PROTEIN THERMODYNAMIC QUANTITIES UNDER THE MOLECULAR CROWDING CONDITION OF CYTOPLASM IN EXTREMOPHILES: KIRKWOOD-BUFF APPROACH COMBINEDWITHMOLECULAR DYNAMICS SIMULATION. Isseki Yu 2046-P os B oard #B776 LIFTING CONSTRAINTS IN PROTEIN MOLECULAR DYNAMICS SIMULATIONS. Timo Graen , Helmut Grubmüller 2047-P os B oard #B777 SIMULTANEOUS COMPUTATION OF DYNAMICAL AND EQUILIBRIUM INFORMATION USING A WEIGHTED ENSEMBLE OF TRAJECTORIES. Ernesto Suarez , Steven Lettieri, Metthew C. Zwier, Sundar Raman Subramanian, Lillian T. Chong, Daniel M. Zuckerman 2048-P os B oard #B778 INFERRING STRUCTURAL ENSEMBLES FROM NOISY EXPERIMENTS AND MOLECULAR DYNAMICS: CORRECTING FORCE FIELD BIAS WITH BAYESIAN ENERGY LANDSCAPE TILTING. Kyle Beauchamp , Vijay Pande, Rhiju Das 2049-P os B oard #B779 education travel awardee OPTIMIZATIONOF COARSE-GRAINEDWATER-ION INTERACTION PARAMETERS FOR BIOLOGICAL SIMULATION. Joseph Fogarty , See-Wing Chiu, Eric Jakobsson, Sagar Pandit 2050-P os B oard #B780 THE BIO3D PACKAGE: NEW INTERACTIVE TOOLS FOR STRUCTURAL BIOINFORMATICS. Xin-Qiu Yao, Guido Scarabelli, Lars Skjærven, Barry J. Grant 2051-P os B oard #B781 LEARNING ABOUT TRANSITIONS: ADAPTIVE CONTROLS FOR THE MOLECULAR DYNAMICS DATABASE. Sarana Y. Nutanong, Yanif Ahmad, Thomas B. Woolf , I-Jeng Wang

110

Biophysical Society 58 th Annual Meeting, San Francisco, California