Binding patterns of metal cations (Na+, K+, Cu2+, and Zn2+) with Trp-Trp di-peptide investigated by DFT, NBO, and MD simulation

Binding patterns of metal cations (Na+, K+, Cu2+, and Zn2+) with Trp-Trp di-peptide investigated by DFT, NBO, and MD simulation

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1141, 1 October 2018, Pages 7-14

Snehasis Bhunia, Aditya Kumar, Ajeet Singh, Animesh K. Ojha,