| 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 | 53 | 2018 |
| 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 | 46 | 2019 |
| 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), 2018 | 44 | 2018 |
| 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 | 44 | 2017 |
| Structure of a carbon nanotube–dendrimer composite V Vasumathi, D Pramanik, AK Sood, PK Maiti Soft Matter 9 (4), 1372-1380, 2013 | 42 | 2013 |
| Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study D Pramanik, PK Maiti Soft Matter 12 (41), 8512-8520, 2016 | 23 | 2016 |
| 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 | 14 | 2021 |
| 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 | 14 | 2021 |
| 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 | 12 | 2018 |
| 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 | 10 | 2021 |
| 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 | 8 | 2022 |
| Handbook Of Carbon Nano Materials (Volumes 5-6) KM Kadish, F D'souza World Scientific, 2014 | 6 | 2014 |
| Influence of DNA Sequences on the Thermodynamic and Structural Stability of the ZTA Transcription Factor─ DNA Complex: An All-Atom Molecular Dynamics Study B Duraisamy, D Pramanik The Journal of Physical Chemistry B 129 (18), 4282-4297, 2025 | 5 | 2025 |
| 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 | 5 | 2013 |
| Probing the Molecular Interactions of A22 with Prokaryotic Actin MreB and Eukaryotic Actin: A Computational and Experimental Study A Kumar, S Kukal, A Marepalli, S Kumar, S Govindarajan, D Pramanik The Journal of Physical Chemistry B 128 (43), 10553-10564, 2024 | 4 | 2024 |
| 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 | 4 | 2021 |
| Dendrimer: a novel nanomaterials D Pramanik, S Kanchi, G Ayappa, PK Maiti Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives …, 2021 | 3 | 2021 |
| Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods S Namsani*, D Pramanik*, MA Khan, S Roy, J Singh | 3 | 2020 |
| 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 | 1 | 2018 |
| Molecular rewiring and compensatory mechanisms sustain DNA recognition in mutant ZTA transcription factor: insights from molecular dynamics simulations B Duraisamy, D Pramanik bioRxiv, 2025.12. 17.694912, 2025 | | 2025 |
Prabal K MaitiDepartment of Physics, Indian Institute of Science, BangaloreVerified email at iisc.ac.in
