Rajesh Maharjan

Identification of potent inhibitors of HDAC2 from herbal products for the treatment of colon cancer: Molecular docking, molecular dynamics simulation, MM/GBSA calculations, DFT studies, and pharmacokinetic analysis

Madan Khanal, A. Acharya, Rajesh Maharjan et al. · PLoS ONE · 2024 · 19 citations · Full text

Identification of catechin as main protease inhibitor of SARS-CoV-2 Omicron variant using molecular docking, molecular dynamics, PCA, DCCM, MM/GBSA and ADMET profiling

Kalpana Gyawali, Rajesh Maharjan, A. Acharya et al. · Natural Product Research · 2024 · 13 citations

Quantum chemical calculations on calcium oxalate and dolichin A and their binding efficacy to lactoferrin: An <i>in silico</i> study using DFT, molecular docking, and molecular dynamics simulations

A. Acharya, Madan Khanal, Rajesh Maharjan et al. · AIMS Biophysics · 2024 · 12 citations · Full text

Identification of lead inhibitors for 3CLpro of SARS-CoV-2 target using machine learning based virtual screening, ADMET analysis, molecular docking and molecular dynamics simulations

Sandeep Poudel Chhetri, Vishal Singh Bhandari, Rajesh Maharjan et al. · RSC Advances · 2024 · 12 citations · Full text