Zoekresultaten - "computational chemistry"

Polymer Engineering door 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 door 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 door 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 door 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 door 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 door Magdalena Kowalska, Łukasz Fijałkowski, Alicja Nowaczyk

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

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Kinetics of Drug Release from Clay Using Enhanced Sampling Methods door 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 door Aliki Drakontaeidi, Eleni Pontiki

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The role of artificial intelligence in drug screening, drug design, and clinical trials door 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 door 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 door Islamudin Ahmad

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New Pharmacokinetic and Microbiological Prediction Equations to Be Used as Models for the Search of Antibacterial Drugs door 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 door Erić Slavica, Kalinić Marko

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Alpha-glucosidase activity of phytochemicals from Phyllanthus amarus leaves via in-silico approaches door 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 door 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 door Norma Flores-Holguín, Joan S. Salas-Leiva, Daniel Glossman-Mitnik

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Applied and Computational Statistics door Bolboac?, Sorana D.

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

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