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1دورية أكاديمية
المؤلفون: Austen Bernardi, W. F. Drew Bennett, Stewart He, Derek Jones, Dan Kirshner, Brian J. Bennion, Timothy S. Carpenter
المصدر: Membranes, Vol 13, Iss 11, p 851 (2023)
مصطلحات موضوعية: passive permeability, biomembrane, molecular dynamics, machine learning, lipophilicity, Chemical technology, TP1-1185, Chemical engineering, TP155-156
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Edmond Y. Lau, Oscar A. Negrete, W. F. Drew Bennett, Brian J. Bennion, Monica Borucki, Feliza Bourguet, Aidan Epstein, Magdalena Franco, Brooke Harmon, Stewart He, Derek Jones, Hyojin Kim, Daniel Kirshner, Victoria Lao, Jacky Lo, Kevin McLoughlin, Richard Mosesso, Deepa K. Murugesh, Edwin A. Saada, Brent Segelke, Maxwell A. Stefan, Garrett A. Stevenson, Marisa W. Torres, Dina R. Weilhammer, Sergio Wong, Yue Yang, Adam Zemla, Xiaohua Zhang, Fangqiang Zhu, Jonathan E. Allen, Felice C. Lightstone
المصدر: Frontiers in Molecular Biosciences, Vol 8 (2021)
مصطلحات موضوعية: COVID-19, molecular simulations, machine-learning, protein assays, FRET, live virus, Biology (General), QH301-705.5
وصف الملف: electronic resource
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المؤلفون: Helgi I. Ingólfsson, Camille L. Bilodeau, Delin Sun, Olaf S. Andersen, Stewart He, Felice C. Lightstone, W. F. Drew Bennett
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Letter, Materials science, Protein Conformation, Protein subunit, Dimer, Lipid Bilayers, Stacking, Molecular Dynamics Simulation, 01 natural sciences, chemistry.chemical_compound, Molecular dynamics, Bacterial Proteins, 0103 physical sciences, Physical and Theoretical Chemistry, Lipid bilayer, Brevibacillus, 010304 chemical physics, Hydrogen bond, Gramicidin, Hydrogen Bonding, Computer Science Applications, Protein Subunits, Crystallography, chemistry, Thermodynamics, Protein Multimerization, Umbrella sampling
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المؤلفون: Matthew Holcomb, Thasin Peyear, Olaf S. Andersen, Stewart He, W. F. Drew Bennett, Delin Sun, Fangqiang Zhu, Helgi I. Ingólfsson, Felice C. Lightstone
المصدر: Journal of Medicinal Chemistry
مصطلحات موضوعية: In silico, Lipid Bilayers, Molecular Dynamics Simulation, 01 natural sciences, Article, 03 medical and health sciences, chemistry.chemical_compound, Drug Discovery, Lipid bilayer, 030304 developmental biology, 0303 health sciences, technology, industry, and agriculture, Gramicidin, In vitro toxicology, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Membrane, Pharmaceutical Preparations, Membrane protein, chemistry, Drug development, Biophysics, Molecular Medicine, lipids (amino acids, peptides, and proteins), sense organs, Hydrophobic and Hydrophilic Interactions, Function (biology)
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المؤلفون: Jonathan E. Allen, Garrett A. Stevenson, Brent W. Segelke, W. F. Drew Bennett, Marisa W. Torres, Brooke Harmon, Aidan Epstein, Magdalena Franco, Monica K. Borucki, Maxwell Stefan, Derek Jones, Sergio E. Wong, Deepa K. Murugesh, Fangqiang Zhu, Daniel A. Kirshner, Jacky Lo, Oscar A. Negrete, Edwin A. Saada, Kevin McLoughlin, Brian J. Bennion, Edmond Y. Lau, Felice C. Lightstone, Adam Zemla, Feliza Bourguet, Stewart He, Hyojin Kim, Victoria Lao, Yue Yang, M. P. Katz, Richard A Mosesso, Xiaohua Zhang, Dina R. Weilhammer
المصدر: SC
مصطلحات موضوعية: FOS: Computer and information sciences, Computer Science - Machine Learning, Virtual screening, Fusion, Computer science, business.industry, Pipeline (computing), Deep learning, Biomolecules (q-bio.BM), Machine learning, computer.software_genre, Small molecule, Machine Learning (cs.LG), Quantitative Biology - Biomolecules, FOS: Biological sciences, Path (graph theory), Scalability, Artificial intelligence, business, Throughput (business), computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d8b837a2383688a73d5d324d93f95de
https://doi.org/10.1145/3458817.3476193 -
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المؤلفون: Pinyi Lu, Rick Stevens, Eric Stahlberg, Thomas Brettin, Maulik Shukla, Jason D. Gans, Alexander Partin, Justin M. Wozniak, Austin Clyde, Stewart He, Jonathan E. Allen, Hyunseung Yoo, Fangfang Xia, George Zaki, Prasanna Balaprakash, Yitan Zhu, Cristina Garcia-Cardona, Ya Ju Fan, Xiaotian Duan, Yvonne A. Evrard, Sergei Maslov, James H. Doroshow, Veronika Dubinkina, Judith D. Cohn
المصدر: Briefings in Bioinformatics
مصطلحات موضوعية: drug response prediction, AcademicSubjects/SCI01060, Computer science, Genomics, Review, Machine learning, computer.software_genre, Quantitative Biology - Quantitative Methods, Cell Line, Machine Learning, Neoplasms, Human multitasking, Humans, Generalizability theory, drug sensitivity, Set (psychology), Molecular Biology, Quantitative Methods (q-bio.QM), Biological data, Artificial neural network, business.industry, Deep learning, deep learning, precision oncology, FOS: Biological sciences, Artificial intelligence, Neural Networks, Computer, business, computer, Algorithms, Information Systems, Test data
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::898ad84a11ff7d5a7662b49a33d97557
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المؤلفون: Felice C. Lightstone, Camille L. Bilodeau, Jonathan E. Allen, Stewart He, Helgi I. Ingólfsson, W. F. Drew Bennett, Delin Sun, Derek Jones, Hyojin Kim
المصدر: Journal of chemical information and modeling. 60(11)
مصطلحات موضوعية: Materials science, 010304 chemical physics, business.industry, Drug discovery, General Chemical Engineering, Deep learning, Entropy, General Chemistry, Library and Information Sciences, Molecular Dynamics Simulation, 01 natural sciences, Small molecule, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Molecular dynamics, Deep Learning, Chemical physics, 0103 physical sciences, Humans, Thermodynamics, Free energies, Artificial intelligence, business, Hydrophobic and Hydrophilic Interactions
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9دورية أكاديمية
المؤلفون: Stewart Heitmann, Jamie I Vandenberg, Adam P Hill
المصدر: eLife, Vol 12 (2023)
مصطلحات موضوعية: cardiotoxicity, arrhythmia, safety pharmacology, electrophysiology, Medicine, Science, Biology (General), QH301-705.5
وصف الملف: electronic resource
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المؤلفون: Camille L. Bilodeau, Felice C. Lightstone, Jonathan E. Allen, Stewart He, W. F. Drew Bennett, Helgi I. Ingólfsson, Delin Sun
المصدر: Biophysical Journal. 118:461a-462a
مصطلحات موضوعية: Computer science, Biophysics, Free energies, Convolutional neural network, Algorithm