Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Bryce K. Allen"'
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 5, p 2538 (2024)
Deep learning is a machine learning technique to model high-level abstractions in data by utilizing a graph composed of multiple processing layers that experience various linear and non-linear transformations. This technique has been shown to perform
Externí odkaz:
https://doaj.org/article/925ab5b1d2ef41f1891e79a342fe000a
Autor:
Bryce K. Allen, Saurabh Mehta, Stuart W. J. Ember, Jin-Yi Zhu, Ernst Schönbrunn, Nagi G. Ayad, Stephan C. Schürer
Publikováno v:
ACS Omega, Vol 2, Iss 8, Pp 4760-4771 (2017)
Externí odkaz:
https://doaj.org/article/8df1dfe0be9542f4a9457d8f0863abea
Autor:
Bryce K. Allen, Meghana M. Kulkarni, Brian Chamberlain, Timothy Dwight, Cheryl Koh, Ramya Samant, Finith Jernigan, Jamie Rice, Dazhi Tan, Stella Li, Kristen Marino, Huang Huang, Evan Chiswick, Bethany Tesar, Sam Sparks, Zhixiong Lin, T. Dwight McGee, István Kolossváry, Charles Lin, Sharon Shechter, Holly Soutter, Cecilia Bastos, Mohammed Taimi, Sujen Lai, Alicia Petrin, Tracy Kane, Steven Swann, Humphrey Gardner, Christopher Winter, Woody Sherman
The protein STING (stimulator of interferon genes) is a central regulator of the innate immune system and plays an important role in antitumor immunity by inducing the production of cytokines such as type I interferon (IFN). Activation of STING stems
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::007367283e6d03ce62189d7f16465731
https://doi.org/10.1101/2022.05.23.493001
https://doi.org/10.1101/2022.05.23.493001
Autor:
Charles Y. Lin, Woody Sherman, Darrin M. York, Timothy J. Giese, Huafeng Xu, Pengfei Li, Yujun Tao, Bryce K. Allen, Brian K. Radak, Hsu Chun Tsai, Zhenyu Guo, David A. Pearlman, Tai-Sung Lee, T. Dwight McGee
Publikováno v:
J Chem Inf Model
Predicting protein-ligand binding affinities and the associated thermodynamics of biomolecular recognition is a primary objective of structure-based drug design. Alchemical free energy simulations offer a highly accurate and computationally efficient
Publikováno v:
Journal of Chemical Information and Modeling. 60:4153-4169
Virtual high throughput screening (vHTS) in drug discovery is a powerful approach to identify hits: when applied successfully, it can be much faster and cheaper than experimental high-throughput screening approaches. However, mainstream vHTS tools ha
Autor:
Pengfei Li, Zhijie Li, Yu Wang, Huaixia Dou, Brian K. Radak, Bryce K. Allen, Woody Sherman, Huafeng Xu
Publikováno v:
Journal of chemical theory and computation. 18(2)
Alchemical binding free energy (BFE) calculations offer an efficient and thermodynamically rigorous approach to in silico binding affinity predictions. As a result of decades of methodological improvements and recent advances in computer technology,
Autor:
Hsu Chun Tsai, Bryce K. Allen, Zhixiong Lin, Tai-Sung Lee, Darrin M. York, Yujun Tao, Brian K. Radak, Charles Y. Lin, Woody Sherman
Publikováno v:
J Chem Theory Comput
Progress in the development of GPU-accelerated free energy simulation software has enabled practical applications on complex biological systems and fueled efforts to develop more accurate and robust predictive methods. In particular, this work reexam
Autor:
Andrea Rizzi, Samarjeet Prasad, David F. Hahn, Levi N. Naden, Maximilian Kuhn, Bryce K. Allen, Hannah E. Bruce Macdonald, Huafeng Xu, Antonia S. J. S. Mey, Julien Michel, Michael R. Shirts, John D. Chodera, David L. Mobley, Gary Tresadern, Jenke Scheen
Publikováno v:
Living journal of computational molecular science, vol 2, iss 1
Living J Comput Mol Sci
Living J Comput Mol Sci
Alchemical free energy calculations are a useful tool for predicting free energy differences associated with the transfer of molecules from one environment to another. The hallmark of these methods is the use of “bridging” potential energy functi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a542770ba03c8a1dc2804068986cd9b
https://escholarship.org/uc/item/87m6x1sw
https://escholarship.org/uc/item/87m6x1sw
Autor:
Caty Chung, Nicholas A. Clark, Michele Forlin, John Paul Turner, Christopher C. Mader, Mehdi Fazel, Sherry L. Jenkins, Amar Koleti, Naim Al Mahi, John F. Reichard, Tanya T. Kelley, Alessandro D'Urso, Kathleen M. Jagodnik, Dusica Vidovic, Mario Medvedovic, Marcin Pilarczyk, Vasileios Stathias, Behrouz Shamsaei, Lily Wang, Wen Niu, Avi Ma'ayan, Stephan C. Schürer, Daniel J. Cooper, Denis Torre, Bryce K. Allen, Raymond Terryn, Juozas Vasiliauskas, Jarek Meller, Ajay Pillai
Publikováno v:
Nucleic Acids Research
The Library of Integrated Network-based Cellular Signatures (LINCS) program is a national consortium funded by the NIH to generate a diverse and extensive reference library of cell-based perturbation-response signatures, along with novel data analyti
Autor:
Ernst Schönbrunn, Nagi G. Ayad, Stephan C. Schürer, Jin-Yi Zhu, Bryce K. Allen, Saurabh Mehta, S.W. Ember
Publikováno v:
ACS Omega, Vol 2, Iss 8, Pp 4760-4771 (2017)
ACS Omega
ACS Omega
Computational screening is a method to prioritize small-molecule compounds based on the structural and biochemical attributes built from ligand and target information. Previously, we have developed a scalable virtual screening workflow to identify no