top of page

PUBLICATIONS

  1. “Structure of a carbon nanotube-dendrimer composite", V. Vasumathi, D. Pramanik, A. K. Sood and Prabal K. Maiti; Soft Matter, 2013, 9, 1372-1380.

  2. “Confinement induced stochastic sensing of charged coronene and perylene aggregates in alpha-hemolysin nanochannel", R. Shivanna, D. Pramanik, H. Kumar, K. Venkata Rao, Subi J. George, Prabal K. Maiti and K. S. Narayan; Soft Matter, 2013, 9, 10196-10202.

  3. “Graphene and Carbon Nanotube-Based Nanomaterial: Application in Biomedical and Energy Research", H. Kumar, D. Pramanik, S. Mogurampelly, V. Vasumathi, B. Nandy and Prabal K. Maiti; Handbook of Carbon Nano Materials (Graphene Volumes), 2014, Vol. 6th, edited by Karl M. Kadish and Francis Dsouza, World Scientifc Press.

  4. “Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study", D. Pramanik and Prabal K. Maiti; Soft Matter, 2016, 12, 8512-8520.

  5. “DNA assisted dispersion of carbon nanotubes and comparison with other dispersing agents", D. Pramanik and Prabal K. Maiti; ACS Appl. Mater. Interfaces, 2017, 9, 35287-35296.

  6. “Opening of large bandgap in metallic carbon nanotubes by mannose functionalized dendrimers: experiments and theory", K. S. Vasu, D. Pramanik, S. Kundu, Sridevi S., N. Jayaraman, M. Jain, Prabal K. Maiti and A. K. Sood; J. Mater. Chem. C, 2018, 6, 6483-6488.

  7. “Kinetics of ligand–protein dissociation from all-atom simulations: are we there yet?", J.M.L. Ribeiro, S.T. Tsai, D. Pramanik, Y. Wang and P. Tiwary; Biochemistry, 2018, 58 (3), 156-165.

  8. “Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization", Z. Smith, D. Pramanik, S.T. Tsai and P. Tiwary; J. Chem. Phys., 2018, 149 (23), 234105.

  9. “Can one trust kinetic and thermodynamic observables from biased metadynamics simulations?: detailed quantitative benchmarks on millimolar drug fragment dissociation", D. Pramanik, Z. Smith, A. Kells and P. Tiwary; J. Phys. Chem. B, 2019, 123 (17), 3672-3678.

  10. “Dendrimer: a novel nanomaterials", D. Pramanik, S. Kanchi, G. Ayappa and P. K. Maiti; Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; In Honor of William A. Goddard’s Contributions to Science and Engineering (Springer Series in Materials Science),2020, Vol. 284, edited by Sadasivan Shankar, Richard Muller, Thom Dunning, Guan Hua Chen, Springer International Publishing, doi:10.1007/978-3-030-18778-1.

  11. “Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2", Sadanandam Namsani*, D. Pramanik*, Mohd Aamir Khan, Sudip Roy and Jayant Kumar Singh, Journal of Biomolecular Structure and Dynamics, 0(0),1-16,2021. (*equal contribution)

  12. "Integrated docking and enhanced sampling based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors", Amit Kumawat*, Sadanandam Namsani*, D. Pramanik*, Sudip Roy and Jayant K. Singh, Journal of Biomolecular Structure and Dynamics, 0(0),1-12,2021. (*equal contribution) 

  13. "Phase Behavior of Pure PSPC and PEGylated Multicomponent Lipid and Their Interaction with Paclitaxel: An All-Atom MD Study", *Dutta P, *Pramanik D, Singh JK.  Langmuir. 2021 Aug 18. doi: 10.1021/acs.langmuir.1c01049. Epub ahead of print. PMID: 34406778. (*equal contribution)

bottom of page