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In Silico Pharmacology|September 8, 2025
In-silico insights into Terminalia citrina targeting OmpA: an approach to combat multidrug resistance in Acinetobacter baumanniiRomen Meitei Lourembam, Jobina Rajkumari, Arunkumar Singh Koijam, et al.
In Silico Pharmacology|August 5, 2025
Exploring capsaicin as a multi-target agent for osteoporosis through computational insightsMazumder Adhish, Balaraman Madhan, I Manjubala
In Silico Pharmacology|September 8, 2025
Deciphering curcumin's differential inhibition of KPC-3, L2, and CTX-M-15 β-lactamases through binding energetics and structural dynamicsRafiullah Shirzadi, Abdul Musawer Bayan, Sayed Hussain Mosawi
In Silico Pharmacology|August 12, 2025
Computational studies of natural product compound (CP-225917) for lead identificationN S Hari, Ns Hari Narayana Moorthy, Akhilesh Tiwari, et al.
In Silico Pharmacology|July 29, 2025
Screening of antihyperglycemic and cytotoxic properties of Ficus racemosa L. Fruit extractAnanta Swargiary, Manita Daimari, Akalesh K Verma
In Silico Pharmacology|August 9, 2021
Identification, ADMET evaluation and molecular docking analysis of Phytosterols from Banaba (Lagerstroemia speciosa (L.)Pers) seed extract against breast cancerLiju Raju, Raju Lipin, Rajkumar Eswaran
In Silico Pharmacology|July 14, 2025
In silico evaluation and therapeutic targeting of LVDD9B protein for WSSV inhibition: molecular and ecological insights for aquaculture solutionsMd Iftehimul, Neaz A Hasan, Mst Farzana Akter, et al.
In Silico Pharmacology|July 18, 2025
Inward opening (IO) to outward opening (OO) 'catalytic transition' and OO to IO 'relaxation' of P-glycoprotein: to investigate the role of helices in efflux through targeted molecular dynamics simulationPranabesh Mandal, Priyanka Rani, Durg Vijay Singh
In Silico Pharmacology|July 21, 2025
Oral absorption of semaglutide: pharmacokinetic modeling and molecular dynamics simulationsPalak Nitin Agarwal, Ian S Haworth
In Silico Pharmacology|July 10, 2025
Comprehensive immunoinformatics guided design and in silico assessment of a multi-epitope vaccine to elicit immunity against Mayaro virusMd Mashiur Rahaman, Mahmudul Hasan, G M Nurnabi Azad Jewel, et al.
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