Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session C04: Machine Learning for Biomolecular Design and Simulation

Focus Live

Show Abstracts

Sponsoring Units: DPOLY DBIO DCOMP GSNP
Chair: Stefano Martiniani, University of Minnesota

Monday, March 15, 2021 3:00PM - 3:12PM Live		C04.00001: Rational optimization of drug-membrane selectivity by computational screening Bernadette Mohr, Kirill Shmilovich, Tristan Bereau, Andrew Ferguson
Monday, March 15, 2021 3:12PM - 3:48PM Live		C04.00002: Learning molecular models from simulation and experimental data Invited Speaker: Cecilia Clementi
Monday, March 15, 2021 3:48PM - 4:00PM Live		C04.00003: Toward Transferable Deep Learning Atomistic Potential for Biomolecular Simulations Olexandr Isayev
Monday, March 15, 2021 4:00PM - 4:12PM Live		C04.00004: Accurate Molecular Polarizabilities with Coupled Cluster Theory and Machine Learning Yang Yang, Ka Un Lao, David M. Wilkins, Andrea Grisafi, Michele Ceriotti, Robert Distasio
Monday, March 15, 2021 4:12PM - 4:24PM Live		C04.00005: Machine Learning on a Quantum Hamiltonian shows that DNA is Much Stretchier than Classical Simulations Suggest Joshua Berryman
Monday, March 15, 2021 4:24PM - 4:36PM Live		C04.00006: Machine learning for DNA self-assembly: a numerical case study Jörn Appeldorn, Arash Nikoubashman, Thomas Speck
Monday, March 15, 2021 4:36PM - 4:48PM Live		C04.00007: Predicting Protein Developability via Convolutional Sequence Representation Alexander Golinski, Bryce Johnson, Sidharth Laxminarayan, Diya Saha, Sandhya Appiah, Benjamin Hackel, Stefano Martiniani
Monday, March 15, 2021 4:48PM - 5:00PM Live		C04.00008: Supremum modeling to extend model transferability in systems biology Cody Petrie, Christian Anderson, Mark Transtrum
Monday, March 15, 2021 5:00PM - 5:36PM Live		C04.00009: Prospective experimental validation of machine learning for biological sequence design Invited Speaker: Lucy Colwell
Monday, March 15, 2021 5:36PM - 5:48PM Live		C04.00010: Recurrent networks for protein structure prediction using Frenet-Serret equations and latent residue representations Nazim Bouatta
Monday, March 15, 2021 5:48PM - 6:00PM Live		C04.00011: Multi-fidelity integrated computational-experimental design of self-assembling π-conjugated optoelectronic peptides Kirill Shmilovich, Sayak Panda, John D. Tovar, Andrew Ferguson

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Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session C04: Machine Learning for Biomolecular Design and Simulation

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