QSAR STUDY OF FLAVONE / FLAVONOL ANALOGUES AS THE ANTIRADICAL COMPOUNDS BASED ON HANSCH ANALYSIS
Iqmal Tahir, Karna Wijaya, Bambang Purwono et al. · Indonesian Journal of Chemistry · 2010
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Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules
Haruki Nakamura, Yoshifumi Fukunishi · Pharmaceuticals · 2013
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Aspects of derivative causality in bond-graph models
Ibănescu Radu, Ibănescu Mihaela · MATEC Web of Conferences · 2017
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Interaction of SARS-CoV-2 spike protein with angiotensin converting enzyme inhibitors and selected compounds from the chemical entities of biological interest
Suleiman Aminu, Mohammed Auwal Ibrahim, Abdullahi Balarabe Sallau · Beni-Suef University Journal of Basic and Applied Sciences · 2021
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Set K-Cover Algorithms for Energy Efficient Monitoring in Wireless Sensor Networks
Zoe Abrams, Ashish Goel, Serge Plotkin · 2003
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Time, Space, and Energy in Reversible Computing
Paul Vitanyi · 2005
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Improving the binding affinity and interaction of 5-Pentyl-2-Phenoxyphenol against Mycobacterium Enoyl ACP reductase by computational approach
Jakaria Shawon, Akib Mahmud Khan, Imrul Shahriar et al. · Informatics in Medicine Unlocked · 2021
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Macroalgae Bioactive Compounds for the Potential Antiviral of SARS-CoV-2: An In Silico Study
Hasriaton Padmi, Viol Dhea Kharisma, Arif Nur Muhammad Ansori et al. · Journal of Pure and Applied Microbiology · 2022
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Docking studies: In silico lipoxygenase inhibitory activity of some commercially available flavonoids
Arumugam Madeswaran, Muthuswamy Umamaheswari, Kuppuswamy Asokkumar et al. · Bangladesh Journal of Pharmacology · 2012
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Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/ 3CLpro: molecular docking and simulation studies of three pertinent medicinal plant natural components
Devvret Verma, Debasis Mitra, Manish Paul et al. · Current Research in Pharmacology and Drug Discovery · 2021
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Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization
Claudio N. Cavasotto, Natalia S. Adler, Maria G. Aucar · Frontiers in Chemistry · 2018
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Targeting the Plasmodium falciparum’s Thymidylate Monophosphate Kinase for the Identification of Novel Antimalarial Natural Compounds
Kweku S. Enninful, Samuel K. Kwofie, Samuel K. Kwofie et al. · Frontiers in Cellular and Infection Microbiology · 2022
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Discovery of sulfone-resistant dihydropteroate synthase (DHPS) as a target enzyme for kaempferol, a natural flavanoid
Angamba Meetei Potshangbam, Ravindranath Singh Rathore, Potshangbam Nongdam · Heliyon · 2020
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Identification of Natural Products as SENP2 Inhibitors for Targeted Therapy in Heart Failure
Somayye Taghvaei, Farzaneh Sabouni, Zarrin Minuchehr · Frontiers in Pharmacology · 2022
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The effect of protein mutations on drug binding suggests ensuing personalised drug selection
Shunzhou Wan, Deepak Kumar, Valentin Ilyin et al. · Scientific Reports · 2021
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Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces
Jérémie Mortier, Pratik Dhakal, Andrea Volkamer · Molecules · 2018
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Assessment of Interaction of Human OCT 1-3 Proteins and Metformin using Silico Analyses
Faruk Berat Akçeşme, Nail Beşli, Jorge Peña-García et al. · Acta Chimica Slovenica · 2020
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Homology Modeling and Molecular Docking Studies of Selected Substituted Tetradecane on vlsE Borrelia spielmanii
Venu Paritala, Harsha Thummala, Talluri Naga Santosh Mohith · Journal of Molecular Docking · 2022
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Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1
Eliane Briand, Ragnar Thomsen, Kristian Linnet et al. · Molecules · 2019
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Towards an Understanding of the Mode of Action of Human Aromatase Activity for Azoles through Quantum Chemical Descriptors-Based Regression and Structure Activity Relationship Modeling Analysis
Chayawan Chayawan, Cosimo Toma, Emilio Benfenati et al. · Molecules · 2020
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