Biophysical Society 62nd Annual Meeting | Program Guide

3328-Pos Board B536 GRAPHENE OXIDE NANOSHEETS TARGET EXCITATORY SYNAPSES IN THE HIPPOCAMPUS: REVERSIBLE DOWN REGULATION OF GLUTAMATE NEUROTRANSMISSION IN -VIVO . Rossana Rauti , Manuela Medelin, Neus Lozano, Denis Scaini, Kostas Kostarelos, Laura Ballerini 3329-Pos Board B537 GRAPHENE OXIDE NANOSHEETS AND NEURAL SYSTEM: FROM SYNAPTIC MODULATION TO NEUROINFLAMMATION. Mattia Musto , Rossana Rauti, Neus Lozano Valdes, Clara Ballerini, Loredana Casalis, Maurizio Prato, Kostas Kostarelos, Laura Ballerini 3330-Pos Board B538 THE MEMS ΜHAMMER: IMPACTING NEUROSCIENCE ONE CELL AT A TIME.  Jennifer Walker , Luke Patterson, Evelyn Rodriguez-Mesa, John Foster, Adele Doyle, Kimberly Foster 3331-Pos Board B539 EPILEPTIFORM ACTIVITIES IN CULTURED HUMAN IPSC-DERIVED NEU- RONAL NETWORKS.  Ikuro Suzuki , Aoi Odawara, Naoki Matsuda, Yuto Ishibashi, Remi Yokoi 3332-Pos Board B540 3D MICRO SCAFFOLDS FOR TAILOR-MADE THREE-DIMENSIONAL NEURAL NETWORK STUDIES. Cornelius Fendler , Christian Denker, Gabriele Loers, Jann I. Harberts, Robert Zierold, Markus Münzenberg, Robert H. Blick 3333-Pos Board B541 FOCUSED ULTRASOUND EVOKED RESPONSES IN DORSAL ROOT GANGLI- ON NEURONS (DRG) AND HEK293 CELLS. Danny M. Florez-Paz , Chi-Kun Tong, Benjamin U. Hoffman, Stephen A. Lee, Elisa E. Konofagou, Ellen A. Board B542 OPTICAL RECORDINGS OF ACTION POTENTIALS IN E18 RAT HIPPOCAM- PAL NEURONS EXPOSED TO 10-NS ELECTRIC PULSES.  Iurii Semenov , Shu Xiao, Andrei Pakhomov Molecular Dynamics III (Boards B543–B566) 3335-Pos Board B543 EFFICIENT UNBIASED SAMPLING OF PROTEIN DYNAMICS USING REIN- FORCEMENT LEARNING. Zahra Shamsi , Diwakar Shukla 3336-Pos Board B544 RATIONAL DEVELOPMENT OF HBV CAPSID INHIBITORS AIDED BY MO- LECULAR DYNAMICS. Anna Pavlova , Maksym Korablyov, Chris Chipot, James Gumbart 3337-Pos Board B545 QWIKMD–GATEWAY FOR EASY SIMULATION WITH VMD AND NAMD.  João Vieira Ribeiro , Rafael C. Bernardi, Till Rudack, Klaus Schul- ten, Emad Tajkhorshid 3338-Pos Board B546 COMPUTATIONAL EPITOPE PREDICTION AND SCREENING PRECISION AN- TIBODY THERAPEUTICS FOR ALZHEIMER’S DISEASE. Xubiao Peng , Ebrima Gibbs, Judith M. Silverman, Neil R. Cashman, Steven S. Plotkin 3339-Pos Board B547 A UNIFIED FRAMEWORK FOR ALCHEMICAL MUTATIONS IN PROTEINS, DNA AND LIGANDS. Vytautas Gapsys , Bert L. de Groot 3340-Pos Board B548 STATISTICALLY RELIABLE MOLECULAR DYNAMICS SIMULATIONS OF TRAN- SIENT CONFORMATIONAL CHANGES IN THE ESTROGEN RECEPTOR.  Barmak Mostofian , Upendra Adhikari, Daniel M. Zuckerman 3341-Pos Board B549 DIRECTING MEMBRANE PORATION IN MD SIMULATIONS WITH EMBED- DED MECHANICAL GIZMOS. Gregory Bubnis , Helmut Grubmuller Lumpkin 3334-Pos

3342-Pos Board B550 NEW QMMM INTERFACE TO NAMD PROBES T-RNA CHARGING MECHA- NISM. Marcelo C. Melo , Rafael C. Bernardi, Klaus Schulten, Zaida Luthey-

Schulten 3343-Pos

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Board B551 A SCALABLE AND EFFICIENT APPROACH TO POLARIZABLE FORCE FIELDS IN MOLECULAR DYNAMICS SIMULATIONS.  Jonathan P. Coles , Michel Masella 3344-Pos Board B552 A REFINED FREE ENERGY PERTURBATION HAMILTONIAN REPLICA EXCHANGE MOLECULAR DYNAMICS METHOD FOR ABSOLUTE BINDING AFFINITY PREDICTIONS. Wei Jiang 3345-Pos Board B553 INFERENCE OF CALMODULIN’S CA2+-DEPENDENT FREE ENERGY LAND- SCAPES VIA GAUSSIAN MIXTURE MODEL VALIDATION. Annie M. Westerlund , Tyler J. Harpole, Christian Blau, Lucie Delemotte 3346-Pos Board B554 THE COMBINED FORCE FIELD-SAMPLING PROBLEM IN SIMULATION OF INTRINSICALLY DISORDERED PEPTIDES.  James Lincoff , Sukanya Sasmal, Teresa Head-Gordon 3347-Pos Board B555 TOWARD AN EFFICIENT COMPUTATIONAL METHOD TO CONSTRUCT 3-D ATOMIC RESOLUTION GLYCOSAMINOGLYCAN MODELS. Elizabeth Whitmore , Hanna Sihler, Olgun Guvench 3348-Pos Board B556 FINITE-SIZE EFFECT ON THE CHARGING FREE ENERGY IN THE ALCHEMI- CAL PERTURBATION AND ``WARP DRIVE” METHOD. Toru Ekimoto , Tsutomu Yamane, Mitsunori Ikeguchi 3349-Pos Board B557 BIOMOLECULAR SIMULATIONS IN A CONTINUUM IONIC SOLVENT WITH POLARIZABLE FORCE FIELDS, USING PYTHON AND GPUS. Christopher D. Cooper 3350-Pos Board B558 FLEXIBLE CHOICE OF SOLUTE IN REPLICA EXCHANGE WITH SOLUTE TEM- PERING CAN IMPROVE PERFORMANCE OF CONFORMATION SEARCH FOR SMALL PROTEINS. Motoshi Kamiya , Yuji Sugita 3351-Pos Board B559 TOWARDS REALISTIC MODELS OF LUNG SURFACTANT–MD SIMULATIONS WITH IMPROVED WATER AND ION FORCE FIELDS. Pauline Delcroix , Agnieszka Olzynska, Lukasz Cwiklik 3352-Pos Board B560 ELASTIC MODULI OF FIBROUS PROTEINS FROM EQUILIBRIUMMOLECU- LAR DYNAMICS SIMULATION. Russell Hawkins , Daniel Cox 3353-Pos Board B561 NEW AUTOMATED AND HIGH-THROUGHPUT TOOLS FOR THE MARTINI FORCEFIELD. Peter C. Kroon , Tsjerk A. Wassenaar, Jonathan Barnoud, Siewert-Jan Marrink 3354-Pos Board B562 AN ACCURATE COMPUTATION OF A PHYSICAL QUANTITY OF A PROTEIN WITH A MARKOV STATE MODEL CONSTRUCTED USING A MANIFOLD- LEARNING TECHNIQUE. Reika Ito, Takashi Yoshidome 3355-Pos Board B563 WESTPA 2.0 ADVANCES IN SAMPLING, STORAGE, AND ANALYSIS OF WEIGHTED ENSEMBLE SIMULATIONS. Adam Pratt , Daniel M. Zuckerman, Lillian T. Chong 3356-Pos Board B564 COMBINING WEIGHTED ENSEMBLE METHOD AND LYAPUNOV WEIGHTED DYNAMICS: APPLICATION TO PROTEINS. Hiroshi Fujisaki , Kei Moritsugu, Yasuhiro Matsunaga, Hiromichi Suetani

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