Cholesteryl ester transfer protein inhibitors in coronary heart disease: Validated comparative QSAR modeling of N, N-disubstituted trifluoro-3-amino-2-propanols. - Chanchal Mondal; Amit Kumar Halder; Nilanjan Adhikari; Tarun Jha (Comput. Biol. Medicine, 2013)

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models. - Pravin Ambure; Amit Kumar Halder; Humberto González Díaz; M. Natália Dias Soeiro Cordeiro (J. Chem. Inf. Model., 2019)

QSAR-Co-X: an open source toolkit for multitarget QSAR modelling. - Amit Kumar Halder; M. Natália Dias Soeiro Cordeiro (J. Cheminformatics, 2021)

Modelling and molecular dynamics simulation of novel anticancer ligand for restructuring mutant P53 into wild type. - Ashik Chhetri; Moloy Roy; Aditi Gangopadhyay; Achintya Saha; Puja Mishra; Amit Kumar Halder; Souvik Basak (Int. J. Comput. Biol. Drug Des., 2022)

Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD. - Soumya Mitra; Amit Kumar Halder; Nilanjan Ghosh; Subhash C. Mandal; M. Natália Dias Soeiro Cordeiro (Comput. Biol. Medicine, 2023)

Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach. - Soumya Mitra; Amit Kumar Halder; Arup Koley; Nilanjan Ghosh; Parthasarathi Panda; Subhash C. Mandal; M. Natália Dias Soeiro Cordeiro (Comput. Biol. Medicine, 2024)