Rezultaty - "Computational Chemistry"

Polymer Engineering od Jastrzab, Renata

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Academic Position "Professor in Theoretical Chemistry" at the Department of Physical Chemistry, University of Sofia: Doc. Dr. Alya Tadjer od B.V. Toshev

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Neohesperidin, a flavanone glycoside resourced from Curcuma amada rhizome, holds the key to the remediation of diabetes mellitus: An integrated experimental and computational study od Debarupa Hajra, Anirban Chouni, Ribhu Ray, Santanu Paul

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The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules od Magdalena Kowalska, Łukasz Fijałkowski, Alicja Nowaczyk

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Prediction and Chemical Interpretation of Singlet-Oxygen-Scavenging Activity of Small Molecule Compounds by Using Machine Learning od Taiki Fujimoto, Hiroaki Gotoh

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Schiff Base in Organic, Inorganic and Physical Chemistry

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The biological activity assessment of potential drugs acting on cardiovascular system using Lipinski and Veber Rules od Magdalena Kowalska, Łukasz Fijałkowski, Alicja Nowaczyk

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Discovery in clinical and translational medicine od Diane C Wang, Xiangdong Wang

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Kinetics of Drug Release from Clay Using Enhanced Sampling Methods od Ana Borrego-Sánchez, Jayashrita Debnath, Michele Parrinello

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A Review on Molecular Docking on HDAC Isoforms: Novel Tool for Designing Selective Inhibitors od Aliki Drakontaeidi, Eleni Pontiki

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The role of artificial intelligence in drug screening, drug design, and clinical trials od Yuyuan Wu, Lijing Ma, Xinyi Li, Jingpeng Yang, Xinyu Rao, Yiru Hu, Jingyi Xi, Jingyi Xi, Lin Tao, Lin Tao, Jianjun Wang, Lailing Du, Gongxing Chen, Gongxing Chen, Shuiping Liu, Shuiping Liu

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Psoralen and Bergapten: In Silico Metabolism and Toxicophoric Analysis of Drugs Used to Treat Vitiligo od Vinicius Barreto da Silva, Daniel Fábio Kawano, Ivone Carvalho, Edemilson Cardoso Conceição, Osvaldo Freitas, Carlos Henrique Tomich de Paula Silva

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Quantitatif Structure-Activity Relationship Analysis of a Carbazole Analog Compounds as Antibacterial using Electronical Descriptors od Islamudin Ahmad

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New Pharmacokinetic and Microbiological Prediction Equations to Be Used as Models for the Search of Antibacterial Drugs od Jose I. Bueso-Bordils, Gerardo M. Antón-Fos, Antonio Falcó, Maria J. Duart, Rafael Martín-Algarra, Pedro A. Alemán-López

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Computational models for predicting drug transport mediated by P-glycoprotein od Erić Slavica, Kalinić Marko

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Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches od Abel K. Oyebamiji, Emmanuel A. Soetan, Sunday A. Akintelu, Ademola O. Ayeleso, Emmanuel Mukwevho

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Antioxidant Potential of Psychotropic Drugs: From Clinical Evidence to In Vitro and In Vivo Assessment and toward a New Challenge for in Silico Molecular Design od Giovanni Ribaudo, Marco Bortoli, Chiara Pavan, Giuseppe Zagotto, Laura Orian

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Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential od Norma Flores-Holguín, Joan S. Salas-Leiva, Daniel Glossman-Mitnik

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Applied and Computational Statistics od Bolboac?, Sorana D.

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Synthesis of curcumin derivatives containing non-steroidal anti-inflammatory drugs od Katarzyna Sowa-Kasprzak, Dorota Olender, Jacek Kujawski, Lucjusz Zaprutko, Anna Pawełczyk

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