Knowledge Based Identification of Potent Antitubercular Compounds Using Structure Based Virtual Screening and Structure Interaction Fingerprints. - Ashutosh Kumar; Vinita Chaturvedi; Shalini Bhatnagar; Sudhir Sinha; Mohammad Imran Siddiqi (J. Chem. Inf. Model., 2009)

Characterization of dipeptidylcarboxypeptidase of Leishmania donovani: a molecular model for structure based design of antileishmanials. - Mirza Saqib Baig; Ashutosh Kumar; Mohammad Imran Siddiqi; Neena Goyal (J. Comput. Aided Mol. Des., 2010)

Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents. - Vikash Kumar; Saman Khan; Priyanka Gupta; Namrata Rastogi 002; Durga Prasad Mishra; Shakil Ahmed; Mohammad Imran Siddiqi (J. Comput. Aided Mol. Des., 2014)

Pharmacophore-Based Screening and Identification of Novel Human Ligase I Inhibitors with Potential Anticancer Activity. - Shagun Krishna; Deependra Kumar Singh; Sanjeev Meena; Dipak Datta; Mohammad Imran Siddiqi; Dibyendu Banerjee (J. Chem. Inf. Model., 2014)

Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation. - Nidhi Singh 003; Sameer Tiwari; Kishore K. Srivastava; Mohammad Imran Siddiqi (J. Chem. Inf. Model., 2015)

Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization. - Arjun K. Mishra; Nidhi Singh 003; Pragati Agnihotri; Shikha Mishra; Saurabh P. Singh; Bala K. Kolli; Kwang Poo Chang; Amogh A. Sahasrabuddhe; Mohammad Imran Siddiqi; J. Venkatesh Pratap (J. Comput. Aided Mol. Des., 2017)

Mathematical model for plant-insect interaction with dynamic response to PAD4-BIK1 interaction and effect of BIK1 inhibition. - Sanjay Kumar; Sabahuddin Ahmad; Mohammad Imran Siddiqi; Khalid Raza (Biosyst., 2019)

Computational Design of Biologically Active Anticancer Peptides and Their Interactions with Heterogeneous POPC/POPS Lipid Membranes. - Maninder Singh; Vikash Kumar; Kamakshi Sikka; Ravi Thakur; Munesh Kumar Harioudh; Durga Prasad Mishra; Jimut Kanti Ghosh; Mohammad Imran Siddiqi (J. Chem. Inf. Model., 2020)

Neohesperidin and spike RBD interaction in omicron and its sub-variants: In silico, structural and simulation studies. - Jaikee Kumar Singh; Saumya Dubey; Gaurava Srivastava; Mohammad Imran Siddiqi; Sandeep Kumar Srivastava (Comput. Biol. Medicine, 2023)

Identification of Potential Aldose Reductase Inhibitors Using Convolutional Neural Network-Based in Silico Screening. - Kushagra Kashyap; Pinaki Prasad Mahapatra; Shakil Ahmed; Erdem Buyukbingol; Mohammad Imran Siddiqi (J. Chem. Inf. Model., 2023)