- 👋 Hi, I’m @HSAli14
- 👀 I’m interested in drug modelling and drug design using Computational Chemistry and Machine Learing techniques.
- 🌱 I’m currently working on the development of computational strategy to identify potential inhibitors using molecular docking, molecular dynamics (MD) and Machine Learning (ML) methodologies. I am looking forward to combine molecular docking and MD simulations with ML and developing ML model to predict potential inhibitors.
- 💞️ I’m looking forward to collaborate with experimentalist as well as computational chemists.
Currently working as a Postdoctoral Research Associates at the Department of Chemistry, the University of Oxford, United Kingdom.
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The University of Oxford
- Oxford
- @HafizSaqibAl1
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MD-Analysis
MD-Analysis PublicThis repository contained the scripts used to Analyse the AMBER generated MD-Simulation data.
Python
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SAMPL9
SAMPL9 PublicThis repository contained files and scripts used to calculate logP of drugs in SAMPL9 challenge
Python
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SAMPL8
SAMPL8 PublicThis repository contained files and scripts used to calculate binding free energies in the SAMPL8 Host–Guest challenge
Python
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