Debabrata Pramanik
Title
Cited by
Cited by
Year
Structure of a carbon nanotube–dendrimer composite
V Vasumathi, D Pramanik, AK Sood, PK Maiti
Soft Matter 9 (4), 1372-1380, 2013
322013
Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization
Z Smith, D Pramanik, ST Tsai, P Tiwary
The Journal of Chemical Physics 149 (23), 234105, 2018
222018
DNA-Assisted Dispersion of Carbon Nanotubes and Comparison with Other Dispersing Agents
D Pramanik, PK Maiti
ACS Applied Materials & Interfaces 9 (40), 35287-35296, 2017
222017
Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study
D Pramanik, PK Maiti
Soft Matter 12 (41), 8512-8520, 2016
202016
Kinetics of Ligand–Protein Dissociation from All-Atom Simulations: Are We There Yet?
JML Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary
Biochemistry 58 (3), 156-165, 2018
182018
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, P Tiwary
The Journal of Physical Chemistry B 123 (17), 3672-3678, 2019
152019
Opening of large band gaps in metallic carbon nanotubes by mannose-functionalized dendrimers: experiments and theory
KS Vasu, D Pramanik, S Kundu, S Sridevi, N Jayaraman, M Jain, PK Maiti, ...
Journal of Materials Chemistry C 6 (24), 6483-6488, 2018
62018
Confinement induced stochastic sensing of charged coronene and perylene aggregates in α-hemolysin nanochannels
R Shivanna, D Pramanik, H Kumar, KV Rao, SJ George, PK Maiti, ...
Soft Matter 9 (42), 10196-10202, 2013
42013
Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods
S Namsani, D Pramanik, MA Khan, S Roy, JK Singh
ChemRxiv, 2020
22020
On the phase behaviour of pure PSPC and PEGylated multi-component lipid and their interaction with Paclitaxel: An all-atom MD study
P Dutta, D Pramanik, JK Singh
arXiv preprint arXiv:2103.13662, 2021
2021
Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2
S Namsani, D Pramanik, MA Khan, S Roy, JK Singh
Journal of Biomolecular Structure and Dynamics, 1-16, 2021
2021
Dendrimer: a novel nanomaterials
D Pramanik, S Kanchi, G Ayappa, PK Maiti
Computational Materials, Chemistry, and Biochemistry: From Bold Initiativesá…, 2021
2021
Integrated Docking and Enhanced Sampling Based Selection of Repurposing Drugs for SARS-CoV-2 by Targeting Host Dependent Factors
A Kumawat, S Namsani, D Pramanik, S Roy, JK Singh
ChemRxiv, 2020
2020
Learning reaction coordinate on-the-fly for sampling complex biomolecular systems with SGOOP and metadynamics
D Pramanik, A Kells, Z Smith, P Tiwary
APS March Meeting Abstracts 2019, B21. 008, 2019
2019
Ligand dissociation mechanisms from all-atom simulations: Are we there yet?
JM Lamim Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary
arXiv e-prints, arXiv: 1809.04540, 2018
2018
Polymer Assisted Dispersion of Carbon Nanotubes (CNTs) and Structure, Electronic Properties of CNT - Polymer Composite
D Pramanik
G28411, 2018
2018
The role of electron localization in density functional
D Pramanik
2014
Graphene and Carbon Nanotube-Based Nanomaterial: Application in Biomedical and Energy Research
H Kumar, D Pramanik, S Mogurampelly, V Vasumathi, B Nandy, PK Maiti
Handbook of Carbon Nano Materials 6, 189-236, 2014
2014
Photo-ferroelectric solar to electrical conversion
D Pramanik
2013
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Articles 1–19