Olexandr Isayev is affiliated with the University of North Carolina at Chapel Hill in the United States. Their research spans multiple domains including Materials Science, Computer Science, and Biochemistry, Genetics, and Molecular Biology. The primary subfields of study encompass Materials Chemistry, Computational Theory and Mathematics, Molecular Biology, Physical and Theoretical Chemistry, and Electrical and Electronic Engineering.
The main topics covered by their work include Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Structure and Dynamics, Various Chemistry Research Topics, Chemical Synthesis and Analysis, Catalysis and Oxidation Reactions, and RNA and protein synthesis mechanisms.
Isayev has contributed to several scientific papers across respected journals. Notable recent publications include:
Their frequent collaborators include Adrián E. Roitberg, R.I. Zubatyuk, Filipp Gusev, Artem Cherkasov, and Justin S. Smith. Across their career, Isayev has published extensively in venues such as UNC Libraries, Journal of Chemical Information and Modeling, arXiv (Cornell University), Chemical Science, and Journal of Chemical Theory and Computation.
Isayev's work involves integrating machine learning techniques with chemistry and materials science to advance computational models for molecular simulations and drug discovery. This interdisciplinary approach reflects a combination of chemical theory, computer science methodologies, and biological sciences.
Keith T. Butler;Daniel W. Davies;Hugh Cartwright;Olexandr Isayev
Justin S Smith;Olexandr Isayev;Adrian E Roitberg
Mariya Popova;Mariya Popova;Mariya Popova;Olexandr Isayev;Alexander E Tropsha
Justin Steven Smith;Benjamin Tyler Nebgen;Nicholas Edward Lubbers;Olexandr Isayev
Eugene N. Muratov;Eugene N. Muratov;Jürgen Bajorath;Robert P. Sheridan;Igor V. Tetko
Justin S. Smith;Justin S. Smith;Benjamin T. Nebgen;Roman Zubatyuk;Roman Zubatyuk;Nicholas Lubbers
Olexandr Isayev;Corey Oses;Cormac Toher;Eric Gossett
Nongnuch Artrith;Keith T. Butler;François Xavier Coudert;Seungwu Han
Olexandr Isayev;Denis Fourches;Eugene N. Muratov;Corey Oses
Christian Devereux;Justin S. Smith;Kate K. Davis;Kipton Barros
Justin S. Smith;Olexandr Isayev;Adrian E. Roitberg
Xiang Gao;Farhad Ramezanghorbani;Olexandr Isayev;Justin S. Smith
Roman Zubatyuk;Roman Zubatyuk;Roman Zubatyuk;Justin S. Smith;Jerzy Leszczynski;Olexandr Isayev
Justin S. Smith;Roman Zubatyuk;Roman Zubatyuk;Benjamin Nebgen;Nicholas Lubbers
Olexandr Isayev;Denis Fourches;Eugene N. Muratov;Corey Oses
Eugene N Muratov;Rommie Amaro;Carolina H Andrade;Nathan Brown
Olexandr Isayev;Leonid Gorb;Mo Qasim;Jerzy Leszczynski
Tetiana Zubatiuk;Olexandr Isayev
Marcus Reis;Filipp Gusev;Nicholas G Taylor;Sang Hun Chung
Andrew E Sifain;Andrew E Sifain;Nicholas Lubbers;Benjamin T Nebgen;Justin S Smith;Justin S Smith
Farshad Firouzi;Bahar Farahani;Mahmoud Daneshmand;Kathy Grise
Debashree Ghosh;Olexandr Isayev;Lyudmila V. Slipchenko;Anna I. Krylov
Benjamin Nebgen;Nicholas Lubbers;Justin S. Smith;Justin S. Smith;Andrew E. Sifain;Andrew E. Sifain
Mariya Popova;Mykhailo Shvets;Junier Oliva;Olexandr Isayev
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