Niladri Patra
Affiliations: | 2017- | IIT (ISM) Dhanbad |
Area:
Enzyme catalysis, nanosystemsWebsite:
https://npatra2.wixsite.com/iitismGoogle:
"Niladri Patra"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Debashis Mukherjee | research assistant | 2007-2007 | IACS | |
| (A Short Journey with Electronic Structure Theory: Hartree-Fock Theory and Beyond) | ||||
| B. Jayaram | research assistant | 2006-2008 | IIT Delhi | |
| (MSc: Development of algorithm for the partial charge derivation and assignment of charge for the drug molecules) | ||||
| Petr Král | grad student | 2008-2013 | University of Illinois, Chicago | |
| (Ph.D: Multiscale Modeling of Self-assembly of Nanostructures, Nanomedicines, and Functionalized Graphenes) | ||||
| Heather Kulik | post-doc | 2014-2015 | MIT | |
| Alexei V. Tkachenko | post-doc | 2015-2017 | Brookhaven National Lab (Physics Tree) | |
Children
Sign in to add trainee| Rakesh Kumar Roy | grad student | 2017- | IIT (ISM) Dhanbad |
| Avigyan Naskar | grad student | 2018- | IIT (ISM) Dhanbad |
| Diship Srivastava | grad student | 2019- | IIT (ISM) Dhanbad |
| Kousik Kumar Bhanja | grad student | 2020- | IIT (ISM) Dhanbad |
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Publications
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| Srivastava D, Patra N. (2024) Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme. Journal of Chemical Theory and Computation. 20: 10952-10960 |
| Roy RK, Sharma M, Patra N. (2024) SARS-CoV-2 variants and bebtelovimab: immune escape mechanisms revealed by computational studies. Physical Chemistry Chemical Physics : Pccp. 26: 29929-29939 |
| Akhter SS, Srivastava D, Mishra A, et al. (2024) Physicochemical Analysis of Cu(II)-Driven Electrochemical CO2 Reduction and its Competition with Proton Reduction. Chemistry (Weinheim An Der Bergstrasse, Germany). e202403321 |
| Roy RK, Bera A, Patra N. (2024) Insights into Allosteric Inhibition of the AcrB Efflux Pump: Role of Distinct Binding Pockets, Protomer Preferences, and Crosstalk Disruption. Journal of Chemical Information and Modeling |
| Naskar A, Roy RK, Srivastava D, et al. (2024) Decoding Inhibitor Egression from Wild-Type and G2019S Mutant LRRK2 Kinase: Insights into Unbinding Mechanisms for Precision Drug Design in Parkinson's Disease. The Journal of Physical Chemistry. B |
| Srivastava D, Patra N. (2024) Elucidating Daptomycin's Antibacterial Efficacy: Insights into the Tripartite Complex with Lipid II and Phospholipids in Bacterial Septum Membrane. The Journal of Physical Chemistry. B. 128: 4414-4427 |
| Basu D, Ghosh B, Srivastava D, et al. (2024) Mononuclear organogermanium(IV) catalysts for a [3 + 2] cycloaddition reaction. Dalton Transactions (Cambridge, England : 2003) |
| Srivastava D, Saha B, Patra N. (2024) Design of saccharide based organic binder for low-grade iron ore pelletization using atomistic simulations and machine learning methods. Journal of Molecular Graphics & Modelling. 129: 108730 |
| Bera A, Roy RK, Joshi P, et al. (2024) Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors. The Journal of Physical Chemistry. B |
| Mishra A, Srivastava D, Raj D, et al. (2024) Formate dehydrogenase activity by a Cu(II)-based molecular catalyst and deciphering the mechanism using DFT studies. Dalton Transactions (Cambridge, England : 2003). 53: 1209-1220 |