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In Silico Pharmacology|March 25, 2014
Crystal structures of the A2A adenosine receptor and their use in medicinal chemistryKenneth A Jacobson
In Silico Pharmacology|February 9, 2026
Discovery of bioactive compounds from medicinal plants: insights into Wrightia tinctoria as a potential antistaphylococcal agent targeting clumping factor AVidya S L, Anantha Bhairavi V, R Sathishkumar
In Silico Pharmacology|February 9, 2026
Harunganol-B and beyond: unveiling nature's arsenal against drug-resistant Acinetobacter baumanniiKola A Oluwafemi, Wande M Oluyemi, Adebisi Olonisakin, et al.
In Silico Pharmacology|January 30, 2026
Exploring curcumin and its synthetic derivatives against key genes for therapeutics of rheumatoid arthritis in the Indian population: a computational approachArushi Saloki, Jayshri Swarnkar, Santosh Kumar Behera, et al.
In Silico Pharmacology|January 30, 2026
Unraveling the neuroprotective potential of Aegle marmelos in Alzheimer's disease: a network pharmacology and molecular docking approachNitin Kumar Chopra, Vineet Mehta, Priyanka Nagu
In Silico Pharmacology|January 30, 2026
In silico characterization of G protein-host receptor interactions in Bangladesh Nipah virus mutants toward therapeutic target identificationNorine Dsouza, Selvaa Kumar C
In Silico Pharmacology|January 30, 2026
In silico prediction, molecular docking and simulation of natural flavonoid apigenin and xanthoangelol E against human metapneumovirusHasan Huzayfa Rahaman, Afsana Khan, Nadim Sharif, et al.
In Silico Pharmacology|January 19, 2026
Structure-based discovery of novel non-competitive IDO1 inhibitors via conformational selectionPatricio Chinestrad, Ana Julia Velez Rueda, Melanie Pérez Küper, et al.
In Silico Pharmacology|January 12, 2026
In-silico evaluation of Hedychium spicatum phytochemicals as potential COX-2 inhibitors: molecular docking, dynamics simulation, and ADMET analysisManju Singh, Aman Sharma, Dheeraj Kumar Chaurasia, et al.
In Silico Pharmacology|January 19, 2026
Design, synthesis, molecular docking, and biological evaluation of chalcones bearing benzotriazole analogues as dual anti-inflammatory and anticancer agentsPratik Vijay Malvade, Hemlata Sanjay Bhawar, Sagar Dattatray Magar, et al.
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