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المؤلفون: Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
المصدر: Journal of Chemical Information and Modeling. 62:1905-1915
مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications
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المؤلفون: Pieter H, Bos, Evelyne M, Houang, Fabio, Ranalli, Abba E, Leffler, Nicholas A, Boyles, Volker A, Eyrich, Yuval, Luria, Dana, Katz, Haifeng, Tang, Robert, Abel, Sathesh, Bhat
المصدر: Journal of chemical information and modeling. 62(8)
مصطلحات موضوعية: Central Nervous System, Drug Design, Drug Discovery, Amino Acids, Algorithms
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3
المؤلفون: Karl Leswing, Joshua Staker, Pieter H. Bos, Kyle Marshall, Sathesh Bhat, Phani Ghanakota, Kyle D. Konze, Gabriel Marques, Robert Abel
المصدر: Journal of Chemical Information and Modeling. 60:4311-4325
مصطلحات موضوعية: Quantitative structure–activity relationship, Computer science, General Chemical Engineering, Cloud computing, Library and Information Sciences, Machine learning, computer.software_genre, 01 natural sciences, Machine Learning, Free energy perturbation, Drug Discovery, 0103 physical sciences, Enumeration, Computer Simulation, 010304 chemical physics, business.industry, Drug discovery, General Chemistry, Chemical space, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pathfinder, Workflow, Pharmaceutical Preparations, Artificial intelligence, business, Goals, computer
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المؤلفون: Pieter H Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::88c2ba821dcd166570c44c7439ae5d47
https://doi.org/10.26434/chemrxiv-2021-m6k5f -
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المؤلفون: Jennifer L. Knight, Karl Leswing, Pieter H. Bos, Lingle Wang
المصدر: Free Energy Methods in Drug Discovery: Current State and Future Directions ISBN: 9780841298064
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fdef03a35a5faf6129752f02d2f99e3a
https://doi.org/10.1021/bk-2021-1397.ch008 -
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المؤلفون: Markus K. Dahlgren, Robert Abel, Bortolato Andrea, Pieter H. Bos, Karl Leswing, Kyle D. Konze, Ivan Tubert-Brohman, Sathesh Bhat, Braxton Robbason
المصدر: Journal of Chemical Information and Modeling. 59:3782-3793
مصطلحات موضوعية: Models, Molecular, Computer science, General Chemical Engineering, Computational biology, Library and Information Sciences, 01 natural sciences, Machine Learning, Small Molecule Libraries, Drug Discovery, 0103 physical sciences, Enumeration, Humans, Protein Kinase Inhibitors, Hardware_MEMORYSTRUCTURES, 010304 chemical physics, biology, Drug discovery, Cyclin-Dependent Kinase 2, Cyclin-dependent kinase 2, General Chemistry, Chemical space, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Drug Design, biology.protein, Thermodynamics
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المؤلفون: Marcel M. Dupont, Yan Zhang, Pieter H. Bos, Huizhong Feng, Jennifer M. Chambers, Brent R. Stockwell
المصدر: Biochemistry. 58:2542-2554
مصطلحات موضوعية: 0303 health sciences, Thermal shift assay, Chemistry, Microscale thermophoresis, Drug discovery, 030302 biochemistry & molecular biology, Allosteric regulation, Plasma protein binding, Ligand (biochemistry), Biochemistry, Small molecule, 03 medical and health sciences, Small molecule binding
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المؤلفون: Sathesh Bhat, Kyle D. Konze, Phani Ghanakota, Pieter H. Bos, Gabriel Marques, Karl Leswing, Kyle Marshall, Robert Abel, Joshua Staker
مصطلحات موضوعية: Profiling (computer programming), Quantitative structure–activity relationship, Computer science, business.industry, Drug discovery, Active learning (machine learning), Scale (chemistry), Machine learning, computer.software_genre, Chemical space, Enumeration, Artificial intelligence, business, Throughput (business), computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a295f99efe3522f4a557fedd89728ac8
https://doi.org/10.26434/chemrxiv.11825679 -
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المؤلفون: Amy Y. Chan, Daniel W. Heindel, Christopher A. Vaiana, Jacob D. Daniels, Michael M. Gaschler, Yulia Y. Tyurina, Andrei V. Bekish, Pieter H. Bos, Lingplak Ye, Vadim V. Shmanai, Brent R. Stockwell, Lara K. Mahal, Eveliz Peguero-Pereira, Mikhail S. Shchepinov, Joleen M. Csuka, Eduard Reznik, Alexander A. Andia, Hengrui Liu, K. A. Woerpel, Valerian E. Kagan, Maksim A. Fomich, Annie J. Lin, Brisa Hurlocker, Dylan S. Zuckerman
المصدر: Nature Chemical Biology. 14:507-515
مصطلحات موضوعية: 0301 basic medicine, chemistry.chemical_classification, Chemistry, Cell Biology, GPX4, medicine.disease_cause, Cell biology, Lipid peroxidation, 03 medical and health sciences, chemistry.chemical_compound, 030104 developmental biology, 0302 clinical medicine, Enzyme, Cell culture, Apoptosis, 030220 oncology & carcinogenesis, Cancer cell, medicine, Phospholipid-hydroperoxide glutathione peroxidase, Molecular Biology, Oxidative stress
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10كتاب إلكتروني
المؤلفون: Kira A. Armacost, David C. Thompson, Zoe Cournia, Christophe Chipot, Benoît Roux, Darrin M. York, Woody Sherman, Katharina Meier, Joseph P. Bluck, Clara D. Christ, Nicolas Tielker, Lukas Eberlein, Oliver Beckstein, Stefan Güssregen, Bogdan I. Iorga, Stefan M. Kast, Shuai Liu, Miroslav Suruzhon, Marley L. Samways, Jonathan W. Essex, Ayşegül Özen, Emanuele Perola, Natasja Brooijmans, Joseph Kim, Dilek Coskun, Tai-Sung Lee, Hsu-Chun Tsai, Abir Ganguly, Timothy J. Giese, Jennifer L. Knight, Karl Leswing, Pieter H. Bos, Lingle Wang, Paul Labute, Maximilian Ebert, Lance M. Westerhoff, Zheng Zheng, Eric C. Gladstone
نوع المادة: eBook.
الموضوعات: Thermodynamic potentials, Drugs--Design, Drug development