Publications by authors named "Bryce K Allen"

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alchemlyb: the simple alchemistry library.
Zhiyi Wu, David L Dotson, Irfan Alibay, Bryce K Allen, Mohammad Soroush Barhaghi

J Open Source Softw· September 2024

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Kinome-Wide Virtual Screening by Multi-Task Deep Learning.
Jiaming Hu, Bryce K Allen, Vasileios Stathias, Nagi G Ayad, Stephan C Schürer

Int J Mol Sci· February 2024

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Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences.
Pengfei Li, Zhijie Li, Yu Wang, Huaixia Dou, Brian K Radak, Bryce K Allen

J Chem Theory Comput· February 2022

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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, Zhenyu Guo, Pengfei Li

J Chem Inf Model· November 2020

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Rigorous Free Energy Simulations in Virtual Screening.
Zoe Cournia, Bryce K Allen, Thijs Beuming, David A Pearlman, Brian K Radak

J Chem Inf Model· September 2020

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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials.
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, Charles Lin, Brian K Radak

J Chem Theory Comput· September 2020

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Best Practices for Alchemical Free Energy Calculations [Article v1.0].
Antonia S J S Mey, Bryce K Allen, Hannah E Bruce Macdonald, John D Chodera, David F Hahn

Living J Comput Mol Sci· January 2020

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Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response data.
Amar Koleti, Raymond Terryn, Vasileios Stathias, Caty Chung, Daniel J Cooper, Bryce K Allen

Nucleic Acids Res· January 2018

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Comprehensive Analysis of Tissue-wide Gene Expression and Phenotype Data Reveals Tissues Affected in Rare Genetic Disorders.
Ariel Feiglin, Bryce K Allen, Isaac S Kohane, Sek Won Kong

Cell Syst· August 2017

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Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
Bryce K Allen, Saurabh Mehta, Stuart W J Ember, Jin-Yi Zhu, Ernst Schönbrunn

ACS Omega· August 2017

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Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.
Bryce K Allen, Saurabh Mehta, Stewart W J Ember, Ernst Schonbrunn, Nagi Ayad

Sci Rep· November 2015

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Epigenetic pathways and glioblastoma treatment: insights from signaling cascades.
Bryce K Allen, Vasileios Stathias, Marie E Maloof, Dusica Vidovic, Emily F Winterbottom

J Cell Biochem· March 2015

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