Aaron T. Frank

Publication Activity (10 Years)

Years Active: 2014-2022
Publications (10 Years): 6

Top Topics

Automatically Classify

Molecular Dynamics Simulations

Protein Secondary Structure

Energy Landscape

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Dimuthu Wannipurage, Indrajit Deb, Eroma Abeysinghe, Sudhakar Pamidighantam, Suresh Marru, Marlon E. Pierce, Aaron T. Frank
Experiences with managing data parallel computational workflows for High-throughput Fragment Molecular Orbital (FMO) Calculations. CoRR (2022)
Kexin Zhang, Kyrillos Abdallah, Pujan Ajmera, Kyle Finos, Andrew Looka, Joseph Mekhael, Aaron T. Frank
CS-Annotate: A Tool for Using NMR Chemical Shifts to Annotate RNA Structure. J. Chem. Inf. Model. 61 (4) (2021)
Ziqiao Xu, Orrette R. Wauchope, Aaron T. Frank
Navigating Chemical Space by Interfacing Generative Artificial Intelligence and Molecular Docking. J. Chem. Inf. Model. 61 (11) (2021)
Jingru Xie, Kexin Zhang, Aaron T. Frank
PyShifts: A PyMOL Plugin for Chemical Shift-Based Analysis of Biomolecular Ensembles. J. Chem. Inf. Model. 60 (3) (2020)
Shuai Wei, Charles L. Brooks III, Aaron T. Frank
A rapid solvent accessible surface area estimator for coarse grained molecular simulations. J. Comput. Chem. 38 (15) (2017)
Aaron T. Frank
Used to Resolve RNA-Ligand Poses? J. Chem. Inf. Model. 56 (2) (2016)
Sean M. Law, Aaron T. Frank, Charles L. Brooks III
PCASSO: A fast and efficient Cα-based method for accurately assigning protein secondary structure elements. J. Comput. Chem. 35 (24) (2014)