J. Comput. Chem.

Keyphrases

Publications

volume 45, number 1, 2024

Jagdish Kumar Satyam, Sapan Mohan Saini
Comprehensive investigation of electronic structure, phonon spectrum and thermoelectric performance of LuMSb (M = Ni, Pd, Pt) half Heusler compounds from first principles. J. Comput. Chem. 45 (1) (2024)
João Ricardo Bueno de Morais Borba, Leonardo Pereira de Araújo, Marcia Paranho Veloso, Nelson José Freitas da Silveira
Applying the bioisosterism strategy to obtain lead compounds against SARS-CoV-2 cysteine proteases: An in-silico approach. J. Comput. Chem. 45 (1) (2024)
Shweta Singh Chauhan, Anshika Gupta, Aashna Srivastava, Ramakrishnan Parthasarathi
Front Cover. J. Comput. Chem. 45 (1) (2024)
Trent E. Balius, Y. Stanley Tan, Mayukh Chakrabarti
DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking. J. Comput. Chem. 45 (1) (2024)
Shweta Singh Chauhan, Anshika Gupta, Aashna Srivastava, Ramakrishnan Parthasarathi
efflux pump fusion proteins using computational and structure-guided approaches. J. Comput. Chem. 45 (1) (2024)

volume 45, number 2, 2024

volume 45, number 3, 2024

volume 45, number 4, 2024

volume 45, number 5, 2024

volume 45, number 6, 2024

volume 45, number 7, 2024

volume 45, number 8, 2024

volume 45, number 9, 2024