William J. Allen

According to our database, William J. Allen authored at least 16 papers between 2009 and 2023.

Collaborative distances:

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

2023

Scalable and Reproducible Virtual Screening through an API-Integrated Workflow.

Tiffany Huff, Austin Darrow, Joshua Medina, Erik S. Ferlanti, James D. Carson, John M. Fonner, Sal Tijerina, Stanley J. Watowich, William J. Allen

Proceedings of the Practice and Experience in Advanced Research Computing, 2023

Perspectives and Experiences Supporting Containers for Research Computing at the Texas Advanced Computing Center.

Erik S. Ferlanti, William J. Allen, Ernesto A. B. F. Lima, Yinzhi Wang, John M. Fonner

Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, 2023

2022

A molecular evolution algorithm for ligand design in DOCK.

Lauren E. Prentis, Courtney D. Singleton, John D. Bickel, William J. Allen, Robert C. Rizzo

J. Comput. Chem., 2022

Containerizing Visualization Software: Experiences and Best Practices.

Andrew J. Solis, William J. Allen, Erik S. Ferlanti

Proceedings of the PEARC '22: Practice and Experience in Advanced Research Computing, Boston, MA, USA, July 10, 2022

2021

BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling.

Jason E. Sanchez, Govinda B. Kc, Julian Franco, William J. Allen, Jesus David Garcia, Suman Sirimulla

J. Chem. Inf. Model., 2021

2020

Role of alkylated residues in the tetrapeptide self-assembly - A molecular dynamics study.

Rajarajeswari Muthusivarajan, William J. Allen, Ashok D. Pehere, Konstantin V. Sokolov, David Fuentes

J. Comput. Chem., 2020

Tetrahedral mesh deformation with positional constraints.

Wenjing Zhang, Yuewen Ma, Jianmin Zheng, William J. Allen

Comput. Aided Geom. Des., 2020

2018

Platform for Automated Real-Time High Performance Analytics on Medical Image Data.

William J. Allen, Refaat E. Gabr, Getaneh B. Tefera, Amol S. Pednekar, Matthew W. Vaughn, Ponnada A. Narayana

IEEE J. Biomed. Health Informatics, 2018

2017

Customizable <i>de novo</i> design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.

William J. Allen, Brian C. Fochtman, Trent E. Balius, Robert C. Rizzo

J. Comput. Chem., 2017

Erratum to: GRAPE: a graphical pipeline environment for image analysis in adaptive magnetic resonance imaging.

Refaat E. Gabr, Getaneh B. Tefera, William J. Allen, Amol S. Pednekar, Ponnada A. Narayana

Int. J. Comput. Assist. Radiol. Surg., 2017

GRAPE: a graphical pipeline environment for image analysis in adaptive magnetic resonance imaging.

Refaat E. Gabr, Getaneh B. Tefera, William J. Allen, Amol S. Pednekar, Ponnada A. Narayana

Int. J. Comput. Assist. Radiol. Surg., 2017

2015

DOCK 6: Impact of new features and current docking performance.

William J. Allen, Trent E. Balius, Sudipto Mukherjee, Scott R. Brozell, Demetri Moustakas, P. Therese Lang, David A. Case, Irwin D. Kuntz, Robert C. Rizzo

J. Comput. Chem., 2015

2014

Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design.

William J. Allen, Robert C. Rizzo

J. Chem. Inf. Model., 2014

2013

Grid-based molecular footprint comparison method for docking and <i>de novo</i> design: Application to HIVgp41.

Trent E. Balius, William J. Allen, Sudipto Mukherjee, Robert C. Rizzo

J. Comput. Chem., 2013

2010

Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies.

Justin A. Lemkul, William J. Allen, David R. Bevan

J. Chem. Inf. Model., 2010

2009

GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics.

William J. Allen, Justin A. Lemkul, David R. Bevan

J. Comput. Chem., 2009