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In Silico Pharmacology|June 20, 2025
Virtual screening and molecular dynamic simulations of Desulfovibrio vulgaris dissimilatory sulfite reductase inhibitors for the control of sulphate reducing bacteriaOluwafemi Adebayo Oyewole, Rahma Muhammad Adamu, Umar Saidu, et al.
In Silico Pharmacology|November 3, 2025
An integrated pharmacoinformatics analysis on Prosopis juliflora bio actives to divulge EGFR-mediated crosstalk in the gut-brain axisR Preyenga, Anita A Margret
In Silico Pharmacology|November 3, 2025
Network pharmacology based study of TCM formulations for non-insulin dependent diabetes mellitusAvani Jha, Shashi Kumar Sampangin Venkatesh, Naga Rajiv Lakkaniga
In Silico Pharmacology|October 20, 2025
Targeting SARS-CoV-2 variants with Bromelain: an in-silico study of Spike-ACE2 inhibition using docking, molecular dynamic simulation, and MM-PBSAPalash Ahuja, Lawanya Rao, Norine Dsouza
In Silico Pharmacology|October 20, 2025
Integrated network pharmacology, docking, MD simulations, and post-MD energy calculation revealed the nootropic effect of Toddalia asiaticaAsma Begum, Sathiya Ramu, Lakshmi M Sundar, et al.
In Silico Pharmacology|October 20, 2025
Structure-guided drug repurposing and dynamics simulation reveal anti-viral candidates for Bourbon virusIsrar Hussain, Itazaz Ul Haq, Muhammad Rahiyab, et al.
In Silico Pharmacology|October 20, 2025
Investigation of thiophene derivatives as potential antihypertensive agents: DFT, molecular docking and ADMET studiesEze A Adindu, Osarob U Edeghor, Alpha O Gulack, et al.
In Silico Pharmacology|October 20, 2025
Multi-target therapeutic potential of Neem (Azadirachta indica) phytochemicals in Alzheimer's disease: an integrative network pharmacology and molecular dynamics simulation approachMd Reduanul Haque Kavey, Md Arju Hossain, Md Shohanur Rahman Shohag, et al.
In Silico Pharmacology|October 27, 2025
Peripheral blood, lung and brain gene signatures in recovered and deceased patients with COVID-19Eric Twum, Ancha Baranova, Aman Ullah
In Silico Pharmacology|October 21, 2025
Leveraging immunoinformatic for the rational design of highly immunogenic multi-epitope subunit vaccines against Dugbe virus: a molecular docking and simulation approachAli Khan, Safir Ullah Khan, Fazal Akbar, et al.
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