Application of electron density-based analysis in the study of nanoclusters and biomolecular interactions

 

Related publications: 

1. Pinaki Saha, Amol B. Rahane, Vijay Kumar, N. Sukumar, Analysis of the electron density features of small boron ring clusters and the effects of doping, Physica Scripta 91, 053005 (2016). DOI: 10.1088/0031-8949/91/5/053005 IF: 1.126
2. Pinaki Saha, Amol B. Rahane, Vijay Kumar, and N. Sukumar, Electronic Origin of the Stability of Transition Metal Doped B₁₄ Drum Shaped Boron Clusters and Their Assembly in to a Nanotube. J. Phys. Chem. C, 121(20), 10728–10742 (2017). DOI: 10.1021/acs.jpcc.6b10838 IF: 4.536
3. Suman Kumar Mandal, Pinaki Saha, Parthapratim Munshi, N. Sukumar, Exploring Potent Ligand for Proteins: Insights from Knowledge-based Scoring Functions and Molecular Interaction Energies, Struct. Chem. 28(5), 1537-1552 (2017). DOI: 10.1007/s11224-017-1007-y
4. Amol B. Rahane, Pinaki Saha, N. Sukumar and Vijay Kumar, Smallest Fullerene-like Structures of Boron with Cr, Mo, and W Encapsulation (manuscript under review).