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In Silico Pharmacology|October 23, 2026
Targeting the Parkinson's disease interactome: a systems pharmacology and molecular dynamics investigation unveils Berberis aristata-derived phytoconstituents as potential modulators of tyrosine hydroxylase and p53: a systems and molecular dynamics investigationAniruddha Chatterjee, Abhijit De
In Silico Pharmacology|October 23, 2026
Antioxidant evaluation, phytochemical profiling, and in silico investigation of Asparagus setaceus root metabolites as potential hepatoprotective agentsAman Agrawal, Pooja Jain, Deepti Teotia, et al.
In Silico Pharmacology|July 6, 2022
Optimizing the Sunitinib for cardio-toxicity and thyro-toxicity by scaffold hopping approachBhagyashri Chaudhari, Harun Patel, Snehal Thakar, et al.
In Silico Pharmacology|December 30, 2022
Characterisation of a novel crustin isoform from mud crab, Scylla serrata (Forsskål, 1775) and its functional analysis in silicoS Neelima, M V Anju, V V Anooja, et al.
In Silico Pharmacology|October 11, 2021
Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulationRahul Pawara, Iqrar Ahmad, Sanjay Surana, et al.
In Silico Pharmacology|April 15, 2024
Abatement of the binding of human hexokinase II enzyme monomers by in-silico method with the design of inhibitory peptidesFaranak Karamifard, Mahta Mazaheri, Ali Dadbinpour
In Silico Pharmacology|July 20, 2017
Molecular characterization, modeling, in silico analysis of equine pituitary gonadotropin alpha subunit and docking interaction studies with ganirelixAnuradha Bhardwaj, Varij Nayan, Parvati Sharma, et al.
In Silico Pharmacology|January 14, 2021
In silico analysis of phytoconstituents from Tinospora cordifolia with targets related to diabetes and obesityBijendra K Mandar, Pukar Khanal, B M Patil, et al.
In Silico Pharmacology|January 14, 2021
In silico analysis of a potential antidiabetic phytochemical erythrin against therapeutic targets of diabetesMadhushree M V Rao, T P N Hariprasad
In Silico Pharmacology|April 4, 2025
Alpha-bisabolol inhibits yeast to hyphal form transition and biofilm development in Candida albicans: in vitro and in silico studiesSayali Chougule, Shivani Patil, Tanjila Gavandi, et al.
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