Aaron T. Frank

According to our database, Aaron T. Frank authored at least 7 papers between 2014 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Experiences with managing data parallel computational workflows for High-throughput Fragment Molecular Orbital (FMO) Calculations.

Dimuthu Wannipurage, Indrajit Deb, Eroma Abeysinghe, Sudhakar Pamidighantam, Suresh Marru, Marlon E. Pierce, Aaron T. Frank

CoRR, 2022

2021

CS-Annotate: A Tool for Using NMR Chemical Shifts to Annotate RNA Structure.

Kexin Zhang, Kyrillos Abdallah, Pujan Ajmera, Kyle Finos, Andrew Looka, Joseph Mekhael, Aaron T. Frank

J. Chem. Inf. Model., 2021

Navigating Chemical Space by Interfacing Generative Artificial Intelligence and Molecular Docking.

Ziqiao Xu, Orrette R. Wauchope, Aaron T. Frank

J. Chem. Inf. Model., 2021

2020

PyShifts: A PyMOL Plugin for Chemical Shift-Based Analysis of Biomolecular Ensembles.

Jingru Xie, Kexin Zhang, Aaron T. Frank

J. Chem. Inf. Model., 2020

2017

A rapid solvent accessible surface area estimator for coarse grained molecular simulations.

Shuai Wei, Charles L. Brooks III, Aaron T. Frank

J. Comput. Chem., 2017

2016

Can <i>Holo</i> NMR Chemical Shifts be <i>Directly</i> Used to Resolve RNA-Ligand Poses?

Aaron T. Frank

J. Chem. Inf. Model., 2016

2014

PCASSO: A fast and efficient Cα-based method for accurately assigning protein secondary structure elements.

Sean M. Law, Aaron T. Frank, Charles L. Brooks III

J. Comput. Chem., 2014