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Debabrata Pramanik
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Year
Structure of a carbon nanotube–dendrimer composite
V Vasumathi, D Pramanik, AK Sood, PK Maiti
Soft Matter 9 (4), 1372-1380, 2013
362013
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
312018
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
292018
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
282019
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
272017
Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study
D Pramanik, PK Maiti
Soft Matter 12 (41), 8512-8520, 2016
202016
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
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
Journal of Biomolecular Structure and Dynamics, 1-12, 2021
52021
Handbook Of Carbon Nano Materials (Volumes 5-6)
KM Kadish, F D'souza
World Scientific, 2014
52014
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
52013
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
32021
Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile: In Honor of William A. Goddard's Contributions to Science and Engineering
S Shankar, R Muller, T Dunning, GH Chen
Springer Nature, 2021
32021
Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods
S Namsani*, D Pramanik*, MA Khan, S Roy, J Singh
12020
Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods
N Sadanandam, P Debabrata, K Mohd Aamir, R Sudip, S Jayant
12020
Ligand dissociation mechanisms from all-atom simulations: Are we there yet?
JML Ribeiro, ST Tsai, D Pramanik, Y Wang, P Tiwary
arXiv preprint arXiv:1809.04540, 2018
12018
Mechanistic insights of key host proteins and potential repurposed inhibitors regulating SARS‐CoV‐2 pathway
D Pramanik, AB Pawar, S Roy, JK Singh
Journal of Computational Chemistry 43 (18), 1237-1250, 2022
2022
Phase Behavior of Pure PSPC and PEGylated Multicomponent Lipid and Their Interaction with Paclitaxel: An All-Atom MD Study
P Dutta*, D Pramanik*, JK Singh
Langmuir 37 (34), 10259-10271, 2021
2021
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
Mechanistic insights of key host proteins and potential repurposed inhibitors regulating SARS-CoV-2 pathway (preprint)
P Debabrata, P Aiswarya, R Sudip, KS Jayant
2021
Dendrimer: a novel nanomaterials
D Pramanik, S Kanchi, G Ayappa, PK Maiti
Computational Materials, Chemistry, and Biochemistry: From Bold Initiativesá…, 2021
2021
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Articles 1–20