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1. Molecular-Docking-of-Doxorubicin-with-Topoisomerase-II-Alpha-Top2A-and-DNA Molecular-Docking-of-Doxorubicin-with-Topoisomerase-II-Alpha-Top2A-and-DNA Public

   Molecular docking study of doxorubicin with Top2A and DNA using UCSF Chimera / pymol / Avogadro / swissdock

2. In-Silico-Study-of-Doxorubicin-Molecular-Docking-on-Topoisomerase-II-Enzyme In-Silico-Study-of-Doxorubicin-Molecular-Docking-on-Topoisomerase-II-Enzyme Public

   This project presents an in silico molecular docking study of the anticancer drug Doxorubicin targeting the Topoisomerase II (Top2A) enzyme, a crucial protein involved in DNA replication and transc…

3. QSAR-Docking-Analysis-of-Thiazolopyrimidine-Derivatives QSAR-Docking-Analysis-of-Thiazolopyrimidine-Derivatives Public

   This project presents a Quantitative Structure–Activity Relationship (QSAR) analysis combined with molecular docking scores for a set of six thiazolopyrimidine derivatives with various substituents.

4. using-Curcumin-as-a-scaffold-for-new-hits- using-Curcumin-as-a-scaffold-for-new-hits- Public

   in this project i'm using rdkit packge for scaffold hopping using Curcumin as a sacffold for new hits

   Jupyter Notebook

5. scaffold-hopping scaffold-hopping Public

   scaffold hopping of curcmin

6. N3-derive N3-derive Public

   A similarity-based virtual screening project to identify structural analogues and derivatives of the N3 inhibitor targeting SARS-CoV-2 Mpro.

   Jupyter Notebook