المؤلفون: Dmytro Anokhin, Sergiy Kovalenko, Pavlo Trostianko, Alexander Kyrychenko, Anton Zakharov, Tetiana Zubatiuk, Volodymyr Ivanov, Oleg Kalugin

المصدر: Вісник Харківського національного університету: Серія xімія, Iss 42, Pp 6-14 (2024)

مصطلحات موضوعية: qsar, docking, pharmacophore, logistic regression, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://periodicals.karazin.ua/chemistry/article/view/24524; https://doaj.org/toc/2220-637X; https://doaj.org/toc/2220-6396

URL الوصول: https://doaj.org/article/14e86470f1184c20ab9ef0debbdb0ffb

المؤلفون: Leonid Gorb, Oleg V. Shishkin, Tetiana Zubatiuk

المصدر: BBA Advances, Vol 3, Iss , Pp 100082- (2023)

مصطلحات موضوعية: Biochemistry, QD415-436, Genetics, QH426-470

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S266716032300011X; https://doaj.org/toc/2667-1603

URL الوصول: https://doaj.org/article/34191b70def14533868d1db76fb8289e

المؤلفون: Zhen Liu, Tetiana Zubatiuk, Adrian Roitberg, Olexandr Isayev

المصدر: Journal of Chemical Information and Modeling. 62:5373-5382

مصطلحات موضوعية: Benchmarking, Molecular Structure, Isomerism, General Chemical Engineering, Neural Networks, Computer, General Chemistry, Library and Information Sciences, Algorithms, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a752116a9f55ff3d24b16e5b0a5ab96
https://doi.org/10.1021/acs.jcim.2c00817

المؤلفون: Pavlo O. Dral, Tetiana Zubatiuk

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0ddafd7287592b86fd1e801f9e73f80f
https://doi.org/10.1016/b978-0-323-90049-2.00014-7

المؤلفون: Mohammad Atif Faiz Afzal, Mario Barbatti, Stefano Battaglia, Liqun Cao, Tucker Carrington, Rose K. Cersonsky, Bili Chen, Guanhua Chen, Bruno Cuevas-Zuviría, Leyuan Cui, Hongsheng Dai, Sandip De, Pavlo O. Dral, Ignacio Fdez. Galván, Owen Fresse-Colson, Gang Fu, Fuchun Ge, Johannes Hachmann, Mojtaba Haghighatlari, Yi-Fan Hou, Eugen Hruska, Manabu Ihara, Bin Jiang, Hong Jiang, Jun Jiang, Grier M. Jones, Alexei A. Kananenka, Julien Lam, Zhenggang Lan, Gaétan Laurens, Wei Liang, Roland Lindh, Fang Liu, Hong Liu, Zhi-Pan Liu, Sergei Manzhos, Philipp Marquetand, Jiawei Peng, Max Pinheiro Jr, Aatish Pradhan, Jan Řezáč, P.D.Varuna S. Pathirage, Cheng Shang, Aditya Sonpal, Peifeng Su, Huai-Yang Sun, Gauthier Tallec, Arif Ullah, Gaurav Vishwakarma, Konstantinos D. Vogiatzis, Jingchun Wang, Shuai Wang, Julia Westermayr, Jiang Wu, Xun Wu, Bao-Xin Xue, Jinzhe Zeng, Lina Zhang, Yaolong Zhang, Yi Zhao, Xiao Zheng, Xinxin Zhong, Tong Zhu, Yifei Zhu, Tetiana Zubatiuk

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5ed5888a7f4b03ffdc888de345270d64
https://doi.org/10.1016/b978-0-323-90049-2.09990-x

المؤلفون: Pavlo O. Dral, Tetiana Zubatiuk, Bao-Xin Xue

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::adaf732ce3f058b90a497d151eef87e5
https://doi.org/10.1016/b978-0-323-90049-2.00012-3

المؤلفون: Dmytro M. Hovorun, Anastasiia Golius, Roman I. Zubatyuk, Leonid Gorb, Tetiana Zubatiuk, Alexey Nyporko, Anatolii Pekh, Mykola M. Ilchenko, Jerzy Leszczynski, Igor Dubey

المصدر: The Journal of Physical Chemistry B. 124:9343-9353

مصطلحات موضوعية: 010304 chemical physics, Chemistry, Hydrogen bond, Base pair, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Crystallography, Dodecameric protein, Duplex (building), 0103 physical sciences, Materials Chemistry, Density functional theory, A-DNA, Physical and Theoretical Chemistry, Basis set, Alpha helix

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ce9215b5700286c38662d33bd18806dd
https://doi.org/10.1021/acs.jpcb.0c06154

المؤلفون: Leonid Gorb, Oleg V. Shishkin, Tetiana Zubatiuk

المصدر: SSRN Electronic Journal.

مصطلحات موضوعية: History, Polymers and Plastics, Business and International Management, Industrial and Manufacturing Engineering

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8c2c31067fe15a8ebd33a28c7c939afe
https://doi.org/10.2139/ssrn.4263565

المؤلفون: Benjamin Nebgen, Tetiana Zubatiuk, Kipton Barros, Olexandr Isayev, Nicholas Lubbers, Sergei Tretiak, Guoqing Zhou, Justin S. Smith, Christopher Koh, Roman Zubatyuk

المصدر: The Journal of chemical physics. 154(24)

مصطلحات موضوعية: Physics, Work (thermodynamics), 010304 chemical physics, Artificial neural network, General Physics and Astronomy, Parameterized complexity, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Interfacing, Simple (abstract algebra), 0103 physical sciences, Density functional theory, Statistical physics, Physical and Theoretical Chemistry, Hamiltonian (control theory), Interpretability

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f01c74233605e6c4e6a7ca6c3959ed1
https://pubmed.ncbi.nlm.nih.gov/34241371

المؤلفون: Tetiana Zubatiuk, Olexandr Isayev

المصدر: Accounts of chemical research. 54(7)

مصطلحات موضوعية: Development (topology), Bridging (networking), 010405 organic chemistry, business.industry, General Medicine, General Chemistry, Artificial intelligence, 010402 general chemistry, business, 01 natural sciences, Quantum, Energy (signal processing), 0104 chemical sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0a2f465caf68e821796a455a323fab5
https://pubmed.ncbi.nlm.nih.gov/33715355

المؤلفون: Wei-Yin Chen, Tetiana Zubatiuk, Jerzy Leszczynski, Danuta Leszczynska, Baharak Sajjadi

المصدر: Reviews in Chemical Engineering. 35:777-815

مصطلحات موضوعية: business.industry, Chemistry, Process (engineering), General Chemical Engineering, Industrial chemistry, 02 engineering and technology, 010501 environmental sciences, 021001 nanoscience & nanotechnology, 01 natural sciences, Biochar, 0210 nano-technology, Process engineering, business, Energy (signal processing), Amination, 0105 earth and related environmental sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f18eef7ea998677ba6abdee9c520a986
https://doi.org/10.1515/revce-2018-0003

المؤلفون: Riya Chatterjee, Nosa O. Egiebor, Daniell L. Mattern, Nathan I. Hammer, Jerzy Leszczynski, Wei-Yin Chen, Baharak Sajjadi, Danuta Leszczynska, Tetiana Zubatiuk

المصدر: Fuel. 225:287-298

مصطلحات موضوعية: Graphene, Chemistry, General Chemical Engineering, Sonication, Organic Chemistry, Oxide, Energy Engineering and Power Technology, chemistry.chemical_element, 02 engineering and technology, 010501 environmental sciences, 021001 nanoscience & nanotechnology, 01 natural sciences, law.invention, chemistry.chemical_compound, Fuel Technology, Adsorption, Chemical engineering, law, Desorption, Biochar, Surface modification, 0210 nano-technology, Carbon, 0105 earth and related environmental sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f1333a7edd8d243247d1e164253c36db
https://doi.org/10.1016/j.fuel.2018.03.145

المؤلفون: Tetiana Zubatiuk, Asif Hasan Rony, Glake Hill, Danuta Leszczynska, Maohong Fan, Jerzy Leszczynski

المصدر: Chemical Physics Letters. 706:708-714

مصطلحات موضوعية: biology, Chemistry, General Physics and Astronomy, Active site, 02 engineering and technology, Electron, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, 0104 chemical sciences, Atmosphere, Mechanism (philosophy), biology.protein, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::140f0c8dcabb9b16329732ff484a5c22
https://doi.org/10.1016/j.cplett.2018.07.027

المؤلفون: Baharak Sajjadi, Jerzy Leszczynski, Danuta Leszczynska, Wei-Yin Chen, Glake Hill, Tetiana Zubatiuk

المصدر: Chemical Physics Letters. 689:48-55

مصطلحات موضوعية: Aqueous solution, Inorganic chemistry, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, Edge (geometry), 010402 general chemistry, 021001 nanoscience & nanotechnology, Ring (chemistry), Photochemistry, 01 natural sciences, Oxygen, 0104 chemical sciences, Electron transfer, chemistry, Biochar, Density functional theory, Irradiation, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d0cad0d0d7c671f85a3ed2d9ced6deed
https://doi.org/10.1016/j.cplett.2017.09.058

المؤلفون: Tetiana Zubatiuk, Jerzy Leszczynski, Glake Hill

المصدر: Journal of Molecular Modeling. 25

مصطلحات موضوعية: 010304 chemical physics, Chemistry, Organic Chemistry, Solvation, Halide, 010402 general chemistry, 01 natural sciences, Diatomic molecule, Catalysis, 0104 chemical sciences, Computer Science Applications, Ion, Inorganic Chemistry, Molecular dynamics, Computational Theory and Mathematics, 0103 physical sciences, Halogen, Physical chemistry, Molecule, Density functional theory, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03478ce88bcac6618d32168960348a2a
https://doi.org/10.1007/s00894-019-4212-3

المؤلفون: Tetiana Zubatiuk, Leonid Gorb, Alexandra S. Korolyova, Jerzy Leszczynski, Maxim A. Kukuev, Dmytro M. Hovorun, Alexey Nyporko

المصدر: The Journal of Physical Chemistry B. 119:12741-12749

مصطلحات موضوعية: chemistry.chemical_classification, Binding energy, Charge (physics), DNA, Surfaces, Coatings and Films, Solvent, Turn (biochemistry), Crystallography, chemistry.chemical_compound, chemistry, Helix, Materials Chemistry, Nucleic Acid Conformation, Quantum Theory, A-DNA, Physical and Theoretical Chemistry, Counterion

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2064793274fe804846b5aae950d30349
https://doi.org/10.1021/acs.jpcb.5b04644

المؤلفون: Oleg V. Shishkin, Dmytro M. Hovorun, Leonid Gorb, Tetiana Zubatiuk, Jerzy Leszczynski

المصدر: The Journal of Physical Chemistry B. 119:381-391

مصطلحات موضوعية: Models, Molecular, Chemistry, Hydrogen bond, Water, Crystallographic data, Hydrogen Bonding, DNA, Groove width, Surfaces, Coatings and Films, Crystallography, Poly dA-dT, Helix, Materials Chemistry, Nucleic Acid Conformation, Molecule, Physical and Theoretical Chemistry, DNA, B-Form, Groove (engineering), Alpha helix, Minor groove

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::343ea3b64c8786e74b87e59ea83eb752
https://doi.org/10.1021/jp5075225

المؤلفون: Tetiana Zubatiuk, Leonid Gorb, Oleg V. Shishkin, Jerzy Leszczynski, G. V. Palamarchuk

المصدر: Challenges and Advances in Computational Chemistry and Physics ISBN: 9789401792561

مصطلحات موضوعية: chemistry.chemical_classification, Molecular geometry, chemistry, Stereochemistry, Hydrogen bond, Computational chemistry, Intramolecular force, Molecule, Proton affinity, Nucleotide, Protonation, Nucleobase

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::80e5b6ff1d45c1a8c679121919652233
https://doi.org/10.1007/978-94-017-9257-8_5

المؤلفون: Leonid Gorb, Tetiana Zubatiuk, Dmytro M. Hovorun, Oleg V. Shishkin, Jerzy Leszczynski

المصدر: Physical Chemistry Chemical Physics. 15:18155

مصطلحات موضوعية: Models, Molecular, Base pair, Hydrogen bond, Stereochemistry, Chemistry, Binding energy, General Physics and Astronomy, Hydrogen Bonding, Helicity, Nucleobase, Crystallography, Oligodeoxyribonucleotides, Duplex (building), Helix, Solvents, Nucleic Acid Conformation, Gases, Physical and Theoretical Chemistry, DNA, B-Form, Base Pairing, Basis set

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9221f6a60452e8c109637fa2f7c80302
https://doi.org/10.1039/c3cp51584b

المؤلفون: Tetiana Zubatiuk, MaximA. Kukuev, Alexandra S. Korolyova, Leonid Gorb, Alexey Nyporko, Dmytro Hovorun, Jerzy Leszczynski

المصدر: Journal of Physical Chemistry B; Oct2015, Vol. 119 Issue 40, p12741-12749, 9p