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William J. Allen
William J. Allen
Texas Advanced Computing Center
Zweryfikowany adres z tacc.utexas.edu
Tytuł
Cytowane przez
Cytowane przez
Rok
DOCK 6: impact of new features and current docking performance
WJ Allen, TE Balius, S Mukherjee, SR Brozell, DT Moustakas, PT Lang, ...
Journal of computational chemistry 36 (15), 1132-1156, 2015
6952015
GridMAT‐MD: A grid‐based membrane analysis tool for use with molecular dynamics
WJ Allen, JA Lemkul, DR Bevan
Journal of computational chemistry 30 (12), 1952-1958, 2009
3112009
Practical considerations for building GROMOS-compatible small-molecule topologies
JA Lemkul, WJ Allen, DR Bevan
Journal of chemical information and modeling 50 (12), 2221-2235, 2010
2272010
Implementation of the Hungarian algorithm to account for ligand symmetry and similarity in structure-based design
WJ Allen, RC Rizzo
Journal of chemical information and modeling 54 (2), 518-529, 2014
1042014
Brain and lesion segmentation in multiple sclerosis using fully convolutional neural networks: A large-scale study
RE Gabr, I Coronado, M Robinson, SJ Sujit, S Datta, X Sun, WJ Allen, ...
Multiple Sclerosis Journal 26 (10), 1217-1226, 2020
762020
Structural basis for ceramide recognition and hydrolysis by human neutral ceramidase
MV Airola, WJ Allen, MJ Pulkoski-Gross, LM Obeid, RC Rizzo, YA Hannun
Structure 23 (8), 1482-1491, 2015
462015
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets
WJ Allen, BC Fochtman, TE Balius, RC Rizzo
Journal of computational chemistry 38 (30), 2641-2663, 2017
382017
Grid‐based molecular footprint comparison method for docking and de novo design: Application to HIVgp41
TE Balius, WJ Allen, S Mukherjee, RC Rizzo
Journal of computational chemistry 34 (14), 1226-1240, 2013
382013
Steered molecular dynamics simulations reveal important mechanisms in reversible monoamine oxidase B inhibition
WJ Allen, DR Bevan
Biochemistry 50 (29), 6441-6454, 2011
312011
Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation
WJ Allen, HA Yi, M Gochin, A Jacobs, RC Rizzo
Bioorganic & medicinal chemistry letters 25 (14), 2853-2859, 2015
252015
Strategies for lead discovery: Application of footprint similarity targeting HIVgp41
PM Holden, WJ Allen, M Gochin, RC Rizzo
Bioorganic & medicinal chemistry 22 (1), 651-661, 2014
252014
Modeling the relationship between the p53 C-terminal domain and its binding partners using molecular dynamics
WJ Allen, DGS Capelluto, CV Finkielstein, DR Bevan
The Journal of Physical Chemistry B 114 (41), 13201-13213, 2010
242010
Computer-aided approaches for targeting HIVgp41
WJ Allen, RC Rizzo
Biology 1 (2), 311-338, 2012
222012
Steered molecular dynamics identifies critical residues of the Nodamura virus B2 suppressor of RNAi
WJ Allen, MR Wiley, KM Myles, ZN Adelman, DR Bevan
Journal of molecular modeling 20 (3), 2092, 2014
152014
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer
TD McGee Jr, HA Yi, WJ Allen, A Jacobs, RC Rizzo
Bioorganic & medicinal chemistry letters 27 (14), 3177-3184, 2017
142017
A molecular dynamics approach towards evaluating osmotic and thermal stress in the extracellular environment
D Fuentes, NM Muñoz, C Guo, U Polak, AA Minhaj, WJ Allen, MC Gustin, ...
International Journal of Hyperthermia 35 (1), 559-567, 2019
92019
Functional convergence of structurally distinct thioesterases from cyanobacteria and plants involved in phylloquinone biosynthesis
F Furt, WJ Allen, JR Widhalm, P Madzelan, RC Rizzo, G Basset, ...
Acta Crystallographica Section D: Biological Crystallography 69 (10), 1876-1888, 2013
82013
BiasNet: A Model to Predict Ligand Bias Toward GPCR Signaling
JE Sanchez, GB Kc, J Franco, WJ Allen, JD Garcia, S Sirimulla
Journal of Chemical Information and Modeling 61 (9), 4190-4199, 2021
72021
A molecular evolution algorithm for ligand design in DOCK
LE Prentis, CD Singleton, JD Bickel, WJ Allen, RC Rizzo
Journal of Computational Chemistry 43 (29), 1942-1963, 2022
62022
GRAPE: a graphical pipeline environment for image analysis in adaptive magnetic resonance imaging
RE Gabr, GB Tefera, WJ Allen, AS Pednekar, PA Narayana
International journal of computer assisted radiology and surgery 12, 449-457, 2017
62017
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