I am a computational chemist with a Ph.D. in Chemistry, specializing in bioinformatics and computer-aided drug design. Expertise includes structure-based and fragment-based design, ligand-based design with ML and QSAR models, SAR analysis, and ADME/Tox property calculation. Proficient in Python scripting, data pipelining tools, molecular modeling, and virtual screening using protein X-ray structures and ligand-based methods. Experienced in protein sequence analysis, homology modeling, and contributing to diverse research projects in drug discovery across academic and industrial settings.
Jul 2023 - Present, Remote
Project - GUI interface for Deep Waters GIST
Nov 2022 - May 2023, Remote
Project - GUI interface for Deep Waters GIST
Jan 2022 - Jun 2022, UK
Project - VSpipe, an Integrated Resource for Virtual Screening and Hit Selection
Aug 2021 - Apr 2022, Remote
Course - High-Performance Computing (Undergraduate)
Mar 2019 - Feb 2020, Pak
Course - Bioinformatics (Undergraduate)
Jul 2016 - Dec 2019, Pak
Focus - Research and management tasks
Feb 2015 - Jan 2016, Pak
Projects - Higher Education Commission (HEC) funded project on Hepatitis C Virus drug design, MATLAB-based toolbox for top-down proteomics data
Feb 2015 - Jan 2016
Feb 2015 - Jan 2016
Jun 2014 - Jan 2015, Pak
Jul 2013 - Mar 2014, Pak
Feb 2024 - Vol. 25, No. 04, pp. 2002, | Research Paper
Hussain, R., Hackett, A.S., Álvarez-Carretero, S., Tabernero, L.
Oct 2023 - Vol. 13, No. 43, pp. 30052-30070, | Research Paper
Hussain, R., Haider, Z., Khalid, H., Fatmi, M. Q., Carradori, S., Cataldi, A., Zara, S.
Mar 2022 - Vol. 94, No. 07, pp. 809-818, | Conference Paper
Hussain, R., Khalid, H., Fatmi, M. Q.
Jul 2021 - Vol. 20, No. 06, pp. 631-639, | Research Paper
Hussain, R., Khalid, H., Fatmi, M. Q.
Jan 2021 - Vol. 01, No. 02, pp. 50-55, | Research Paper
Khalid, H., Hussain, R., & Hafeez, A.
Aug 2019 - Vol. 09, No. 01, pp. 1-14, | Research Paper
Basharat, A. R., Iman, K., Bibi, Z., Hussain, R., Kabir, H. G., Shahid, A., Humayun, M., Hayat, H. A., Mustafa, M., Shoaib, M. A., Ullah, Z., Zarina, S., Ahmed, S., Uddin, E., Hamera, S., Ahmad, F., & Chaudhary, S. U.
Dec 2018 - Vol. 39, No. 03, pp. 1091-1136, | Review Paper
Ashraf, M. U., Iman, K., Khalid, M. F., Shafi, T., Salman, H. M., Rafi, M., Javaid, N., Hussain, R., Ahmad, F., Shahzad-ul-Hussan, S., Mirza, S., Shafiq, M., Afzal, S., Idrees, M., Hamera, S., Anwar, S., Qazi, R. Qureshi, S. A., Chaudhary, S. U.
Nov 2018 - Vol. 31, No. 06, pp. 2697-2708, | Research Paper
Arfan, M., Siddiqui, S.Z., Abbasi, M.A., ur Rehman, A., Shah, S.A.A., Ashraf, M., Rehman, J., Saleem, R. S. Z., Khalid, H., Hussain, R., Khan, U.
Oct 2017 - Emerging Trends in Chemical Sciences, pp. 221-238, | Book Chapter
Khalid, H., Abbasi, M. A., Hussain, R., Malik, A., Ashraf, M., & Fatmi, M. Q.
2016 - HEALTHINF, Vol 5, pages 478-483 , Rome, Italy, | Conference Paper
Abubakar, M., Bibi, A.,Hussain, R., Bibi, Z., Gul, A., Bashir, Z., Arshad, S.N., Uppal, S.U., Chaudhary, S. U.
Jan 2014 - Vol. 23, No. 06, pp. 2715-2726, | Research Paper
Mumtaz, S., Hussain, R., Rauf, A., Fatmi, M. Q., Bokhari, H., Oelgemöller, M., & Qureshi, A. M.
Mar 2014 - Vol. 38, No. 02, pp. 189-201, | Research Paper
Khalid, H., Rehman, A. U., Abbasi, M. A., Hussain, R., Khan, K. M., Ashraf, M., Ejaz, S.A., & Fatmi, M. Q.
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PhD in Chemistry
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2011-2013
MS in Bioinformatics
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2006-2010
BS in Bioinformatics
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VSpipe-GUI, an Interactive Graphical User Interface for Virtual Screening and Hit Selection.
A MATLAB Toolbox for Proteoform Identification from Top-Down Proteomics Data.
Machine Learning based QSAR model for COVID19 Replicase Polyprotein to predict pIC50 of a given compound.
Portfolio and personal blog is created using hugo theme and deployed on GitHub.
https://rashid-bioinfo.github.io/
A notepad GUI app is developed in Python-Tkinter.
This certificate awarded for securing 3.70 cGPA in doctoral studies
Appreciation certificate was awarded for securing 3rd position in best poster award.
This certificate has been awarded for successfully completing the Carpentries Instructor training program. I am qualified to teach the core curriculum of Data Carpentry, Library Carpentry, and Software Carpentry.
I really enjoyed this course. The course covers from very basic to advance topics in Unix. I have learnt regular expressions, bash scripting, GitHub, and Cloud Computing. I also made account on DigitalOcean and accessed the system remotely. Overall very good experience and I have learnt a lot in this course.
In this course I have got basic understanding of data science. I got the chance to know about big data, data mining, deep learning, regession etc. I also studied about Hadoop which is a framework for distributed processing of large data sets. I also got the chance to know about IBM cloud features, created IBM cloud account and explored Watson Studio Instance and Jupyter.
This was a three hours long online symposium with focus on using Molecular Operating Environment (MOE), a software for computer aided drug design. During the session, a case study for structure based drug design of an Epidermal Growth Factor (PDB ID: 1M17) was followed. The key concepts regarding protein-ligand representation, compound optimization, docking and analysing the docking results through scoring and generated fingerprints were discussed.
This was a one day online symposium with a focus on virtual drug discovery. Many renowned scientists across the globe gave their talks. The core concepts discussed in the talks were about the current breakthrough in drug design and discovery and future challanges.
In this course I have got experience of industry-leading computational molecular modeling tools used to aid in drug discovery and design. In average this course took 25 hours over a span of 5 weeks to complete. In addition to utilizing modern techniques such as active learning and multimodal teaching, I have also got chance to get hands-on with Schrödinger’s Maestro and LiveDesign.
