Biophysical Society 2020 Annual Meeting

863-plat 11:15 am STRUCTURES OF UNFOLDED OUTER MEMBRANE PROTEINS IN COMPLEX WITH CHAPERONES.  Neharika Chamachi , Andreas Hartmann, Georg Krainer, Michael Schlierf 864-plat 11:30 am CONFORMATIONAL DYNAMICS OF THE MEMBRANE ENZYME LSPA USING EPR AND MD.  Tracy A. Caldwell, Owen N. Vickery, Phillip J. Stansfeld, Linda Columbus 865-plat 11:45 am DYNAMIC FINGERPRINTING OF THE A 2A ADENOSINE RECEPTOR IN DIF- FERENT LIGAND-BIASED STATES.  Dennis D. Fernandes , Chris Neale, Gregory W. Gomes, Yuchong Li, Aditya Pandey, Libin Ye, R. Scott Prosser, Claudiu C. Gradinaru 866-plat 12:00 pm INSIGHTS INTO THE DYNAMICS AND ASSEMBLY PROPERTIES OF THE ENIGMATIC TSPO PROTEIN.  Rajas Rao, Ibaa Dhaybi, Julien Diharce, Catherine Etchebest 867-plat 12:15 pm INVESTIGATION OF DRUG TRANSPORT BY MTRD FROM NEISSERIA GON- ORRHOEAE .  Lauren Ammerman , Sarah B. Mertz, John G. Wise 868-plat 12:30 pm PROTON BINDING AT PROTEIN AND MEMBRANE INTERFACES.  Konstantina Karathanou , Lukas Kemmler, Michalis Lazaratos, Malte Siemers, Ana-Nicoleta Bondar Platform Molecular Dynamics 10:45 am - 12:45 pm, Room 31ABC Co-Chairs Gregory Babbitt, Rochester Institute of Technology Anna Pavlova, Georgia Institute of Technology 869-plat 10:45 am DETERMINING FREE ENERGY DIFFERENCES THROUGH VARIATIONAL MORPHING. Martin Reinhardt , Helmut Grubmueller 870-plat 11:00 am MACHINE LEARNING-BASED DETECTION OF FUNCTIONALLY CONSERVED BINDING INTERACTIONS IN MOLECULAR DYNAMIC SIMULATIONS.  Gregory A. Babbitt 871-plat 11:15 am MECHANISM OF ACTION OF HBV CAPSID ASSEMBLY MODULATORS CAN BE PREDICTED FROM A COMBINATION OF MOLECULAR DYNAMICS AND DOCKING.  Anna Pavlova , James C. Gumbart 872-plat 11:30 am BUILDING A MACRO-MIXING DUAL-BASIN GO MODEL USING THE MUL- TISTATE BENNETT ACCEPTANCE RATIO.  Ai Shinobu , Chigusa Kobayashi, Yasuhiro Matsunaga, Yuji Sugita 873-plat 11:45 am UNVEILING LIGAND BINDING MECHANISMS THROUGH MOLECULAR SIMULATION: LESSONS AND PROGRESS FROMMARKOV STATE MODEL APPROACHES.  Vincent A. Voelz 874-plat 12:00 pm A NEW CONSTANT PH METHOD TO SIMULTANEOUSLY PREDICT PH- INDUCED CONFORMATIONAL CHANGES AND INDIVIDUAL PKA VALUES IN LARGE BIOMOLECULES.  Ekaterina D. Kots , Derek M. Shore, Harel Weinstein

875-plat 12:15 pm ACCELERATED ESTIMATION OF LONG-TIMESCALE KINETICS BY COMBIN- ING WEIGHTED ENSEMBLE SIMULATION WITH MARKOV MODEL “MICRO- STATES” USING NON-MARKOVIAN THEORY.  Jeremy T. Copperman , Daniel M. Zuckerman 876-plat 12:30 pm DETERMINATION OF PROTEIN COARSE-GRAINED POTENTIALS BY MA- CHINE LEARNING APPROACHES.  Eric Vazquez, Rachel Thomas , Rafael Zamora-Resendiz, Yu-Hang Tang, Masakatsu Watanabe, Silvia Crivelli Annual Meeting of the Student Chapters 11:00 am - 1:00 pm, Room 28AB Join BPS Student Chapters from all over the world for a poster session and workshop. Attendees will meet Student Chapter officers and repre- sentatives and learn about each chapter. There will also be an interactive workshop that aims to establish chapter interactions, communications, and planning for future Student Chapter Annual Meeting sessions. Moderators Seth Weinberg, Ohio State University Ashley Carter, Amherst College Career Development Center Workshop Networking for Nerds: How to Create Your Unicorn Career 11:30 am - 12:30 pm, Room 26A Wanna land your dream job? Get ready to network! Most jobs and other game-changing career opportunities are not advertised, and even if they are, there is usually a short-list of candidates already in mind. So how do you find out about and access the 90% of jobs and other opportunities that are “hidden”? In this workshop, we will focus on proven networking strategies and tactics to identify new opportunities, locate decision-mak- ers within organizations, solidify your reputation and brand in the minds of those who hire, and gain access to hidden jobs and game-changing opportunities. Discover how networking and self-promotion can enable you to land or even create your dream job from scratch! Exhibitor Presentation Leica Microsystems 11:30 am - 1:00 pm, Room 33A Leica SP8 FALCON: Applications of FLIM for Functional Imaging and STED Nanoscopy The rapidly growing field of functional imaging helps us understand the complex interactions of molecules, revealing the true nature of the under- lying biology. In this context, fluorescence lifetime imaging (FLIM) is a pow- erful tool, providing valuable information beyond spectral imaging. FLIM is immune to concentration artifacts and highly sensitive to the molecular environment, providing a robust measure of a biological system’s health. However, previous FLIM solutions were slow and difficult to implement, particularly for complex imaging workflows. To address this weakness, we present the Leica SP8 FALCON (Fast Lifetime Contrast), a fast, intuitive and totally integrated, all-Leica FLIM solution. The SP8 FALCON delivers video- rate FLIM with pixel-by-pixel quantification, due to a unique combination of fast electronics, sensitive spectral hybrid detectors (Leica HyDs), and a novel concept for measuring time. The system has ultra-short dead time and powerful built-in algorithms to manage data acquisition and analysis, while maintaining accuracy and excellent data quality. This talk explains the technical implementations enabling this new level of performance and provides some interesting application examples, includ- ing functional imaging (e.g. metabolic imaging or FRET imaging) and the use of lifetime information to achieve improved live-cell Nanoscopic Imag- ing (τ-STED). τ-STED is a revolutionary modality for STED imaging, making use of the FALCON FLIM phasor approach, delivering cutting-edge resolu-

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