• 1 Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event, Bhupendra R. Dandekar, Navjeet Ahalawat, Suman Sinha, and Jagannath Mondal, JACS Au 2023, https://doi.org/10.1021/jacsau.3c00151 (just accepted), IF: 8.00
• 2 The Power of Kinetic Inertness in Improving Platinum Anticancer Therapy by Circumventing Resistance and Ameliorating Nephrotoxicity, Tushar Ranjan Panda, M. Manikandan, Shreyas P. Vaidya, Sushanta Chhatar, Suman Sinha, Megha Mehrotra, Sourav Chakraborty, Shubhankar Gadre, Prakash Duari, Pritha Ray, Malay Patra, Angewandte Chemie International Edition, https://doi.org/10.1002/anie.202303958 (just accepted), IF: 16.823
• 3 Development of a Systematic Strategy toward Promotion of α-Synuclein Aggregation Using 2-Hydroxyisophthalamide-Based Systems, Aslam Uddin, Javid Ahmad Malla, Harish Kumar, Manisha Kumari, Suman Sinha, Virender Kumar Sharma, Yashwant Kumar, Pinaki Talukdar, Mayurika Lahiri, Tushar Kanti Maiti, and Partha Hazra, Biochemistry 2022, 61, 21, 2267–2279, IF: 4.634
• 4 A Chimeric Peptide Inhibits Red Blood Cell Invasion by Malaria Parasites with Two Orders of Magnitude Increased Efficacy, Jamsad Mannuthodikayil, Suman Sinha, Sameer Singh, Anamika Biswas, Irshad Ali, Purna Chandra Mashurabad, Wahida Tabassum, Pratap Vydyam, Mrinal Kanti Bhattacharyya, Kalyaneswar Mandal ChemBioChem 2022, e202200533, IF: 3.44
• 5 Molecular Dynamics Simulation Elucidates Oligosaccharide Recognition Pathways by Galectin-3 at Atomic Resolution, Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal, Journal of Biological Chemistry, Volume 297, Issue 5, 2021, IF: 5.485
• 6 A conformationally constrained synthetic peptide efficiently inhibits malaria parasite entry into human red blood cells, Anamika Biswas, Akash Narayan, Suman Sinha, Kalyaneswar Mandal, https://www.biorxiv.org/content/10.1101/2023.06.23.546305v1.
• 7 Computational and experimental studies of plasmodium falciparum protein PfAMA1 domain-II loop dynamics: implications in PfAMA1-PfRON2 binding event, Suman Sinha, Anamika Biswas, Jagannath Mondal, and Kalyaneswar Mandal, bioRxiv:doi: https://doi.org/10.1101/2021.10.10.463826, (manuscript submitted)
• 8 Role of Molecular Dynamics in Optimizing Ligand Discovery: A case study with Novel Inhibitor Search for Peptidyl t-RNA Hydrolase, Bhupendra Dandekar, Suman Sinha, Jagannath Mondal, Chemical Physics Impact, Volume 3, 2021, 100048, IF: 2.552
• 9 In Silico Reoptimization of Binding Affinity and Drug-Resistance Circumvention Ability in Kinase Inhibitors: A Case Study with RL-45 and Src Kinase Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal, J. Phys. Chem. B 2019, 123, 31, 6664–6672, IF: 3.466
• 10 Antileishmanial activity evaluation of bis-lawsone analogues and DNA topoisomerase-I inhibition studies. Sharma G, Chowdhury S, Sinha S, Majumder HK, Kumar SV. J Enzyme Inhib Med Chem. 2014 Apr;29(2):185-9, IF: 5.756
• 11 4-Methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate. S. Sinha, H. Osman, H. A. Wahab, M. Hemamalini and H.-K. Fun,Acta Cryst. (2012). E68, o641-o642
• 12 3-Hydroxy-2-(4-methoxybenzenesulfonamido) butanoic acid. S. Sinha, H. Osman, H. A. Wahab, M. Hemamalini and H.K. Fun, Acta Cryst. (2011). E67, o3275.
• 13 4-Methyl-2-oxo-2H-chromen-7-yl 4-methoxybenzenesulfonate. S. Sinha, H. Osman, H.Wahab, M. Hemamalini and H.K. Fun, Acta Cryst. (2011). E67, o3457
• 14 Ethyl 2-acetyl-3-anilinobutanoate. S. Priya, S. Sinha, V. Vijayakumar, T. Narasimhamurthy, T. Vijay and R. S. Rathore, Acta Cryst. (2006). E62, o5367- o5368.

Poster Presentations:

• 01Poster titled “Effects of branched Beta-carbon dehydro residues on peptide conformation in ‘International symposium on Green and Sustainable Chemistry’ jointly organized by Delhi University and New Jersey Institute of Technology, 2006.
• 02Poster titled “Structure based drug design using alpha, beta, dehydro residues” in International symposium on Green and Sustainable chemistry’ jointly organized by Delhi University and New Jersey Institute of Technology, 2006.
• 03Poster titled "A synthetic and molecular simulation approach to understand the chemical basis of Plasmodium falciparum AMA1-RON2 Interaction" in in-house symposium organized by Tata Institute of Fundamental Research Hyderabad, 2018.