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In Silico Pharmacology|June 5, 2026
Machine learning and molecular simulations reveal a prenyl plant flavonoid as a potent Bcl-2 inhibitor in cancer therapyAbtin Tondar, Asim Kumar Bepari, Hasan Mahmud Reza, et al.
In Silico Pharmacology|June 15, 2026
Dual-template structure-based design of novel harmine derivatives as EGFR inhibitors for colorectal cancer therapySagir Yusuf Ismail, Murtala Muhammad, Tasiu Abdulmumin Mikail, et al.
In Silico Pharmacology|July 24, 2023
In silico analysis of sporozoite surface antigen 1 of Theileria annulata (TaSPAG1) for multi-epitope vaccine design against theileriosisMojtaba Azimi-Resketi, Mehdi Akbari, Saeed Heydaryan, et al.
In Silico Pharmacology|August 2, 2026
On neighborhood degree sum-based indices of Nirmatrelvir and its QSPR investigation with some other COVID-19 drugsShibsankar Das, Arti Kumari
In Silico Pharmacology|August 2, 2026
In silico DFT study, molecular docking interactions, molecular dynamics and toxicological assessment of selected organochlorine-based pesticidesMd Jalal Uddin, Md Sadik Hussain Evan, Wahid Salekin Tulin, et al.
In Silico Pharmacology|July 15, 2026
Phytochemical profiling and in silico evaluation of Ficus racemosa fruit extract as potential α-amylase and α-glucosidase inhibitorsAnanta Swargiary, Debojani Narzary, Bilima Brahma
In Silico Pharmacology|August 2, 2026
Enhancing renal tuberculosis treatment: lysozyme-mediated targeted drug delivery approachesHarshita Sonar, Prokriti Paul, Sanchaita Rajkhowa, et al.
In Silico Pharmacology|June 23, 2026
Pan-cancer signaling landscape linked to endothelial and immune Sphingosine-1-phosphate receptor 1 (S1PR1) expressionYazmin Torres-Santos, Yarely Mabell Beltrán-Navarro, Guadalupe Reyes-Cruz, et al.
In Silico Pharmacology|June 23, 2026
Computational design and immunoinformatic validation of a multistage mRNA vaccine candidate against Mycobacterium tuberculosisManika Sharma, Parul Bhatt, Medha Singh, et al.
In Silico Pharmacology|June 25, 2026
Integrated machine learning and molecular dynamics-driven multi-target virtual screening of FDA-approved drugs for drug repurposing in breast cancerKevser Kübra Kırboğa, Şükran Acar, Metehan Şen, et al.
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