1. Physicochemical and Structural Investigation of L-Threonine/Glycerol-Based Deep Eutectic Solvents Using Experimental and Molecular Modelling Approaches.

Authors:   Md Jaish Uddin, Mahdi Ghasemi, Cladie White, Anusha Bhattarai, Hasina Akhter, Abdul Hannan, Carl Jacky Jacky Saint-Louis, A Mohammad Halim 

Journal:    New Journal of Chemistry

 DOI:  https://doi.org/10.1039/D4NJ02664K

2. Experimental and molecular dynamics studies of the effect of electrolytes on the interaction and energetics of the mixture of triton X-100 + metformin hydrochloride.

Authors:  Tajmul Hasan, Md Jaish Uddin, Faiyaz Md Efaz, Javed Masood Khan, Shahed Rana, Md Anamul Hoque, Mohammad A Halim, Mohammad Majibur Rahman 

Journal:   Journal of Molecular Liquids

DOI:  https://doi.org/10.1016/J.MOLLIQ.2024.125128

3. Large-scale peptide screening against the main protease of SARS CoV-2. 

Authors:  Md Jaish Uddin, Hasina Akhter, Urmi Chowdhury, Jannatul Mawah, Sanzida Tul Karim, Mohammad Jomel, Md Sirajul Islam, Mohammad Raqibul Islam, Latifa Afrin Bhuiyan Onin, Md Ackas Ali, Faiyaz Md Efaz, Mohammad A Halim 

Journal:    Journal of Computational Chemistry

DOI:  https://doi.org/10.1002/JCC.27050  

4. Elucidating the Structure, Dynamics, and Interaction of a Choline Chloride and Citric Acid-Based Eutectic System By Spectroscopic and Molecular Modeling Investigations.

Authors:  Md Ackas Ali, Md Abdul Kaium, Sayed Nesar Uddin, Md Jaish Uddin, Oluseyi Olawuyi, Albert D Campbell Jr, Carl Jacky Saint- Louis, Mohammad A Halim 

Journal:    ACS Omega 

DOI: https://doi.org/10.1021/ACSOMEGA.3C04570

5. Structure and dynamics whole-sequence homology model of ORF3a protein of SARS-CoV-2: An insight from microsecond molecular dynamics Simulations.

Authors:  Shaila Akter, Md Jahirul Islam, Md Ackas Ali, Md Zakaria Tashrif, Md Jaish Uddin, M Obayed Ullah, Mohammad A Halim 

Journal:    Journal of Biomolecular Structure and Dynamics 

DOI: https://doi.org/10.1080/07391102.2023.2236715