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In Silico Pharmacology|December 16, 2014
Implementing the "Best Template Searching" tool into Adenosiland platformMatteo Floris, Davide Sabbadin, Antonella Ciancetta, et al.
In Silico Pharmacology|December 18, 2014
Molecular dynamics simulations: from structure function relationships to drug discoveryPramod C Nair, John O Miners
In Silico Pharmacology|August 10, 2016
In silico evaluation of gadofosveset pharmacokinetics in different population groups using the Simcyp® simulator platformMarios Spanakis, Kostas Marias
In Silico Pharmacology|August 5, 2022
Identification of potent and novel inhibitors against RAC1: a Rho family GTPaseGeet Madhukar, Naidu Subbarao
In Silico Pharmacology|December 1, 2025
Discovery of natural PDE-5 inhibitors in NO signalling pathways for the human erectile dysfunction management: a multi-layered in silico assessmentDevesh Singh Baral, Rakesh Verma
In Silico Pharmacology|December 1, 2025
Computational optimization of MALT1 inhibitors against DLBCL: a QSAR-guided molecular docking and dynamics studyJosiah Joseph Isah, Adamu Uzairu, Sani Uba, et al.
In Silico Pharmacology|January 30, 2026
Identification and computational assessment of novel targeting sites of dexamethasone sodium phosphate for improved efficacy in the management of rheumatoid arthritisShradha Devi Dwivedi, Lokendra Singh Rathor, Deependra Singh, et al.
In Silico Pharmacology|January 30, 2026
Structure-based molecular docking and molecular dynamics simulation of phytoconstituents from Senecio species as potential acetylcholinesterase inhibitors targeting Alzheimer's diseaseGilbert Roy, Premkumar Lingaraj, Tamilarasi Sambu Periyasamy, et al.
In Silico Pharmacology|January 19, 2026
Spectrochemical, medicinal, and toxicological studies of Metronidazole and its derivatives: a quantum chemical and drug-design approachMd Mamunur Rashid, Md Habibur Rahaman, Syeda Tasmia Alam, et al.
In Silico Pharmacology|January 30, 2026
In silico analysis of Barleria cuspidata compounds against Streptococcus mutans biofilm-associated proteinsE Gaayathiri Devi, M K Nisha
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