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2020 – today
- 2023
[c3]Erik S. Ferlanti
, William J. Allen, Ernesto A. B. F. Lima, Yinzhi Wang, John M. Fonner:
Perspectives and Experiences Supporting Containers for Research Computing at the Texas Advanced Computing Center. SC Workshops 2023: 155-164- [c2]Tiffany Huff, Austin Darrow, Joshua Medina, Erik S. Ferlanti, James D. Carson, John M. Fonner, Sal Tijerina, Stanley J. Watowich, William J. Allen:
Scalable and Reproducible Virtual Screening through an API-Integrated Workflow. PEARC 2023: 196-199 - 2022
- [j13]Lauren E. Prentis, Courtney D. Singleton, John D. Bickel, William J. Allen, Robert C. Rizzo:
A molecular evolution algorithm for ligand design in DOCK. J. Comput. Chem. 43(29): 1942-1963 (2022) - [c1]Andrew J. Solis, William J. Allen, Erik S. Ferlanti:
Containerizing Visualization Software: Experiences and Best Practices. PEARC 2022: 22:1-22:8 - 2021
- [j12]Jason E. Sanchez, Govinda B. Kc, Julian Franco, William J. Allen, Jesus David Garcia, Suman Sirimulla:
BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling. J. Chem. Inf. Model. 61(9): 4190-4199 (2021) - 2020
- [j11]Wenjing Zhang, Yuewen Ma, Jianmin Zheng, William J. Allen:
Tetrahedral mesh deformation with positional constraints. Comput. Aided Geom. Des. 81: 101909 (2020) - [j10]Rajarajeswari Muthusivarajan, William J. Allen, Ashok D. Pehere, Konstantin V. Sokolov, David Fuentes:
Role of alkylated residues in the tetrapeptide self-assembly - A molecular dynamics study. J. Comput. Chem. 41(31): 2634-2640 (2020)
2010 – 2019
- 2018
- [j9]William J. Allen, Refaat E. Gabr, Getaneh B. Tefera, Amol S. Pednekar, Matthew W. Vaughn, Ponnada A. Narayana:
Platform for Automated Real-Time High Performance Analytics on Medical Image Data. IEEE J. Biomed. Health Informatics 22(2): 318-324 (2018) - 2017
- [j8]Refaat E. Gabr, Getaneh B. Tefera, William J. Allen, Amol S. Pednekar, Ponnada A. Narayana:
GRAPE: a graphical pipeline environment for image analysis in adaptive magnetic resonance imaging. Int. J. Comput. Assist. Radiol. Surg. 12(3): 449-457 (2017) - [j7]Refaat E. Gabr, Getaneh B. Tefera, William J. Allen, Amol S. Pednekar, Ponnada A. Narayana:
Erratum to: GRAPE: a graphical pipeline environment for image analysis in adaptive magnetic resonance imaging. Int. J. Comput. Assist. Radiol. Surg. 12(3): 459 (2017) - [j6]William J. Allen, Brian C. Fochtman, Trent E. Balius, Robert C. Rizzo:
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets. J. Comput. Chem. 38(30): 2641-2663 (2017) - 2015
- [j5]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:
DOCK 6: Impact of new features and current docking performance. J. Comput. Chem. 36(15): 1132-1156 (2015) - 2014
- [j4]William J. Allen, Robert C. Rizzo:
Implementation of the Hungarian Algorithm to Account for Ligand Symmetry and Similarity in Structure-Based Design. J. Chem. Inf. Model. 54(2): 518-529 (2014) - 2013
- [j3]Trent E. Balius, William J. Allen, Sudipto Mukherjee, Robert C. Rizzo:
Grid-based molecular footprint comparison method for docking and de novo design: Application to HIVgp41. J. Comput. Chem. 34(14): 1226-1240 (2013) - 2010
- [j2]Justin A. Lemkul, William J. Allen, David R. Bevan:
Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies. J. Chem. Inf. Model. 50(12): 2221-2235 (2010)
2000 – 2009
- 2009
- [j1]William J. Allen, Justin A. Lemkul, David R. Bevan:
GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics. J. Comput. Chem. 30(12): 1952-1958 (2009)
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