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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| 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 |
| Bhanja KK, Sharma M, Patra N. (2023) Uncovering the Structural and Binding Insights of Dual Inhibitors Simultaneously Targeting Two Distinct Sites on EGFR Kinase. The Journal of Physical Chemistry. B. 127: 10749-10765 |
| Roy RK, Patra N. (2023) Probing the pH Sensitivity of OprM: Insights into Metastable States and Semi-Open Conformation. The Journal of Physical Chemistry. B |
| Srivastava D, Patra N. (2023) Enhanced Uptake of Anticancer C6-Pep Dimer in a Model Membrane Caused by Differential p in Acidic Microenvironment. The Journal of Physical Chemistry. B |
| Srivastava D, Patra N. (2023) Telescoping-Solvation-Box Protocol-Based Umbrella Sampling Method for Potential Mean Force Estimation. Journal of Chemical Information and Modeling. 63: 6109-6117 |
| Naskar A, Bhanja KK, Roy RK, et al. (2023) Structural insight into G2019S mutated LRRK2 kinase and brain-penetrant type I inhibitor complex: a molecular dynamics approach. Journal of Biomolecular Structure & Dynamics. 1-21 |
| Naskar A, Bhanja KK, Roy RK, et al. (2023) Role of the Residue Q1919 in Increasing Kinase Activity of G2019S LRRK2 Kinase: A Computational Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300306 |
| Srivastava D, Patra N. (2022) Self-Uptake Mechanism of Polymyxin-Based Lipopeptide against Gram-Negative Bacterial Membrane: Role of the First Adsorbed Lipopeptide. The Journal of Physical Chemistry. B |
| Biswas O, Akhtar N, Mazumder P, et al. (2022) Transmembrane Phosphate/Chloride Antiport Activities of 2-Benzimidazolylthiourea Receptors. Langmuir : the Acs Journal of Surfaces and Colloids |