Amalendu Chandra

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 7

Top Topics

Simulation Study

Biological Pathways

Energy Landscape

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Bhavana Panthi, Saheb Dutta, Amalendu Chandra
All-atom simulations of the trimeric spike protein of SARS-CoV-2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein. J. Comput. Chem. 44 (17) (2023)
Saheb Dutta, Amalendu Chandra
A Multiple Proton Transfer Mechanism for the Charging Step of the Aminoacylation Reaction at the Active Site of Aspartyl tRNA Synthetase. J. Chem. Inf. Model. 63 (6) (2023)
Sushma Yadav, Amalendu Chandra
Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium. J. Comput. Chem. 41 (20) (2020)
Sindrila Dutta Banik, Arindam Bankura, Amalendu Chandra
A QM/MM simulation study of transamination reaction at the active site of aspartate aminotransferase: Free energy landscape and proton transfer pathways. J. Comput. Chem. 41 (32) (2020)
Deepak Ojha, Amalendu Chandra
Vibrational echo spectroscopy of aqueous sodium bromide solutions from first principles simulations. J. Comput. Chem. 40 (24) (2019)
Bikramjit Sharma, Amalendu Chandra
Nature of hydration shells of a polyoxy-anion with a large cationic centre: The case of iodate ion in water. J. Comput. Chem. 39 (19) (2018)
Kumari Soniya, Amalendu Chandra
Free energy landscapes of prototropic tautomerism in pyridoxal 5′-phosphate schiff bases at the active site of an enzyme in aqueous medium. J. Comput. Chem. 39 (21) (2018)
Debashree Chakraborty, Amalendu Chandra
Voids and necks in liquid ammonia and their roles in diffusion of ions of varying size. J. Comput. Chem. 33 (8) (2012)
Rini Gupta, Amalendu Chandra
Nonideality in diffusion of ionic and neutral solutes and hydrogen bond dynamics in dimethyl sulfoxide-chloroform mixtures of varying composition. J. Comput. Chem. 32 (12) (2011)