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المصدر: Chemical Engineering Science. 250:117383
مصطلحات موضوعية: Applied Mathematics, General Chemical Engineering, General Chemistry, Industrial and Manufacturing Engineering
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::72934b9000a2dbd06e9619162248b4d8Test
https://doi.org/10.1016/j.ces.2021.117383Test -
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المؤلفون: Dzmitry Padhorny, Zhuyezi Sun, Sergei Kotelnikov, Yaroslav Kholodov, Istvan Kolosvari, Andrey Alekseenko, Cong Liu, Dima Kozakov, Ivan V Grebenkin, Ken A. Dill, Alberto Perez, Mikhail Ignatov, Andrey Kazennov
المصدر: Journal of computer-aided molecular design, vol 33, iss 1
مصطلحات موضوعية: Computer science, Medicinal & Biomolecular Chemistry, Monte Carlo method, Molecular Conformation, Molecular Dynamics Simulation, Crystallography, X-Ray, Ligands, Energy minimization, 01 natural sciences, Article, Databases, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, 0103 physical sciences, Drug Discovery, Physical and Theoretical Chemistry, Databases, Protein, Monte Carlo, Quantitative Biology::Biomolecules, Crystallography, Binding Sites, 010304 chemical physics, Protein, MD, Translational motion, Cathepsins, Manifold, Minimization, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, 010404 medicinal & biomolecular chemistry, Docking (molecular), Drug Design, X-Ray, Thermodynamics, Computer-Aided Design, Pose prediction, Minification, Monte Carlo Method, Algorithm, Cathepsin S, D3R, Protein Binding, Protein ligand
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78e19b71fc0da1cb5535fe69a54936cfTest
https://doi.org/10.1007/s10822-018-0176-0Test -
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المؤلفون: Alex Zhavoronkov, Evgeny Izumchenko, Ivan Labat, Mike West, Hal Sternberg, Andrey Kazennov, Andrey Alekseenko, Polina Mamoshina, Ratnesh K. Singh, Karen A. F. Copeland, Aleksandr Alekseev, Artem V. Artemov, Evgeny Putin, Jacob Larocca, Alexander Aliper, Nikita Pryanichnikov, Evgenia Cheskidova, Igor O. Nasonkin, Dana Larocca, Eugene Makarev, Nikolai Shuvalov, Karen B. Chapman, Mikhail Korzinkin
المصدر: Oncotarget. 9:7796-7811
مصطلحات موضوعية: 0301 basic medicine, Biology, Embryonic stem cell, Phenotype, Warburg effect, Cell biology, Transcriptome, 03 medical and health sciences, 030104 developmental biology, Oncology, Cancer cell, Stem cell, Progenitor cell, Adult stem cell
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::058db831c40bec1624289ce04e4aae90Test
https://doi.org/10.18632/oncotarget.23748Test -
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المؤلفون: Artur Kadurin, Alex Zhavoronkov, Kuzma Khrabrov, Quentin Vanhaelen, Alexander Aliper, Andrey Kazennov, Polina Mamoshina
المصدر: Oncotarget
مصطلحات موضوعية: adversarial autoencoder, 0301 basic medicine, Computer science, Emerging technologies, Andrey, Big data, Antineoplastic Agents, drug discovery, Machine Learning, generative adversarian networks, World Wide Web, 03 medical and health sciences, Adversarial system, 0302 clinical medicine, Drug Therapy, Cell Line, Tumor, Humans, business.industry, Deep learning, Reproducibility of Results, deep learning, artificial intelligence, Autoencoder, High-Throughput Screening Assays, 030104 developmental biology, Oncology, 030220 oncology & carcinogenesis, MCF-7 Cells, Neural Networks, Computer, Artificial intelligence, Drug Screening Assays, Antitumor, K562 Cells, business, Natural language, Generative grammar, Research Paper
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06f2b3fe07ba2476de9df265edab0de6Test
https://doi.org/10.18632/oncotarget.14073Test -
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المؤلفون: Dima Kozakov, Mikhail Ignatov, Andrey Kazennov
المصدر: Journal of molecular biology. 430(15)
مصطلحات موضوعية: 0301 basic medicine, Speedup, Protein Conformation, Computation, 03 medical and health sciences, symbols.namesake, X-Ray Diffraction, Structural Biology, Scattering, Small Angle, Macromolecular docking, Molecular Biology, Physics, Internet, 030102 biochemistry & molecular biology, Scattering, Small-angle X-ray scattering, Computational Biology, Proteins, Reproducibility of Results, Rigid body, Molecular Docking Simulation, 030104 developmental biology, Fourier transform, Docking (molecular), symbols, Algorithm, Algorithms, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::110dc1276aab72dc53fa4fcfe2b33011Test
https://pubmed.ncbi.nlm.nih.gov/29626538Test -
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المؤلفون: Michael D, West, Ivan, Labat, Hal, Sternberg, Dana, Larocca, Igor, Nasonkin, Karen B, Chapman, Ratnesh, Singh, Eugene, Makarev, Alex, Aliper, Andrey, Kazennov, Andrey, Alekseenko, Nikolai, Shuvalov, Evgenia, Cheskidova, Aleksandr, Alekseev, Artem, Artemov, Evgeny, Putin, Polina, Mamoshina, Nikita, Pryanichnikov, Jacob, Larocca, Karen, Copeland, Evgeny, Izumchenko, Mikhail, Korzinkin, Alex, Zhavoronkov
المصدر: Oncotarget
مصطلحات موضوعية: embryonic-fetal transition, stem cells, deep neural network, Warburg effect, cancer marker, Research Paper
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::41d64587ffee1abecd4a417e4ad84ceeTest
https://pubmed.ncbi.nlm.nih.gov/29487692Test -
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المصدر: Mathematical Models and Computer Simulations. 7:315-322
مصطلحات موضوعية: Discrete-time Fourier transform, Non-uniform discrete Fourier transform, Mathematical analysis, Short-time Fourier transform, Fractional Fourier transform, Computational Mathematics, symbols.namesake, Fourier transform, Fourier analysis, Modeling and Simulation, Hartley transform, symbols, Algorithm, Fourier series, Mathematics
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::71c23f7f2b076f2bcfbbee020a24113fTest
https://doi.org/10.1134/s2070048215040043Test -
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المؤلفون: Aslan Yu. Tsivadze, Sergey L. Kuznetsov, Natalia Kireeva, Svetlana I. Ovchinnikova, Andrey Kazennov
المصدر: Journal of Computer-Aided Molecular Design. 28:61-73
مصطلحات موضوعية: ERG1 Potassium Channel, Carcinogenicity Tests, Computer science, Machine learning, computer.software_genre, Visualization model, Structure-Activity Relationship, Data visualization, Software, Artificial Intelligence, Drug Discovery, Cluster Analysis, Computer Simulation, Physical and Theoretical Chemistry, Cluster analysis, Principal Component Analysis, business.industry, Models, Theoretical, Ether-A-Go-Go Potassium Channels, Computer Science Applications, Support vector machine, Principal component analysis, Artificial intelligence, Data mining, business, Classifier (UML), computer, Factor Xa Inhibitors, Distance based
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::94db4e500de8e09b6fcfc3a829b75482Test
https://doi.org/10.1007/s10822-014-9719-1Test -
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المؤلفون: Yaroslav Kholodov, N. D. Shuvalov, Bozhenko Vk, Andrey Alekseenko, Tatiana Kulinich, Andrey Kazennov
المصدر: Computational Molecular Bioscience. :53-57
مصطلحات موضوعية: biology, Chemistry, General Medicine, P16 protein, Computational biology, biology.organism_classification, Molecular dynamics, Computational chemistry, P16 ink4a, Sasa, biology.protein, Cyclin-dependent kinase 6, Umbrella sampling, Primary sequence
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::245368f1041458e481b152302f9b5a41Test
https://doi.org/10.4236/cmb.2013.33007Test -
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المؤلفون: Dzmitry Padhorny, Scott E. Mottarella, Yaroslav Kholodov, Brandon S. Zerbe, Bing Xia, Sandor Vajda, Dima Kozakov, Kathryn A. Porter, Andrey Kazennov, David W. Ritchie
المساهمون: Department of Biomedical Engineering [Boston], Boston University [Boston] (BU), Moscow Institute of Physics and Technology [Moscow] (MIPT), Computational Algorithms for Protein Structures and Interactions (CAPSID), Inria Nancy - Grand Est, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Department of Complex Systems, Artificial Intelligence & Robotics (LORIA - AIS), Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Stony Brook University [SUNY] (SBU), State University of New York (SUNY), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)
المصدر: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, National Academy of Sciences, 2016, 113 (30), pp.E4286-E4293. ⟨10.1073/pnas.1603929113⟩
Proceedings of the National Academy of Sciences of the United States of America, 2016, 113 (30), pp.E4286-E4293. ⟨10.1073/pnas.1603929113⟩مصطلحات موضوعية: 0301 basic medicine, Magnetic Resonance Spectroscopy, Speedup, Rotation, Protein Conformation, Fast Fourier transform, Geometry, Spherical basis, 03 medical and health sciences, symbols.namesake, Mathematics, Multidisciplinary, Fourier Analysis, manifold, Proteins, Reproducibility of Results, Biomolecules (q-bio.BM), Manifold, protein docking, Molecular Docking Simulation, Euler angles, 030104 developmental biology, Fourier transform, PNAS Plus, Quantitative Biology - Biomolecules, FOS: Biological sciences, symbols, Thermodynamics, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], Algorithm, Algorithms, Subspace topology, Protein Binding, Rotation group SO
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39e85f0b27084ff476a999475c0e2aa9Test
https://hal.inria.fr/hal-01371087/documentTest
