Niladri Patra

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 23

Top Topics

Acinetobacter Baumannii

Molecular Dynamics Simulations

Multidrug Resistant

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

Dalton transactions (Cambridge, England : 2003)

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Diship Srivastava, Niladri Patra
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 (2024)
Abhishek Bera, Rakesh Kumar Roy, Pritish Joshi, Niladri Patra
Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors. The journal of physical chemistry. B (2024)
Gourav Chakraborty, Niladri Patra
Elucidating the Molecular Basis of 14-3-3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein-Protein Interaction Inhibitor. The journal of physical chemistry. B 128 (29) (2024)
Avigyan Naskar, Rakesh K Roy, Diship Srivastava, Niladri Patra
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 (2024)
Rakesh Kumar Roy, Abhishek Bera, Niladri Patra
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 (2024)
Debayan Basu, Barshali Ghosh, Diship Srivastava, Niladri Patra, Hari Pada Nayek
Mononuclear organogermanium(IV) catalysts for a [3 + 2] cycloaddition reaction. Dalton transactions (Cambridge, England : 2003) 53 (12) (2024)
Avigyan Naskar, Rakesh K Roy, Diship Srivastava, Niladri Patra
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 128 (28) (2024)
Debayan Basu, Barshali Ghosh, Diship Srivastava, Niladri Patra, Hari Pada Nayek
Mononuclear organogermanium(IV) catalysts for a [3 + 2] cycloaddition reaction. Dalton transactions (Cambridge, England : 2003) (2024)
Diship Srivastava, Niladri Patra
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 (18) (2024)
Gourav Chakraborty, Niladri Patra
Elucidating the Molecular Basis of 14-3-3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein-Protein Interaction Inhibitor. The journal of physical chemistry. B 128 (29) (2024)
Gourav Chakraborty, Niladri Patra
Elucidating the Molecular Basis of 14-3-3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein-Protein Interaction Inhibitor. The journal of physical chemistry. B (2024)
Abhishek Bera, Rakesh Kumar Roy, Pritish Joshi, Niladri Patra
Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors. The journal of physical chemistry. B 128 (3) (2024)
Gourav Chakraborty, Niladri Patra
Elucidating the Molecular Basis of 14-3-3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein-Protein Interaction Inhibitor. The journal of physical chemistry. B 128 (29) (2024)
Abhishek Bera, Rakesh Kumar Roy, Pritish Joshi, Niladri Patra
Machine Learning-Guided Discovery of AcrB and MexB Efflux Pump Inhibitors. The journal of physical chemistry. B 128 (3) (2024)
Avigyan Naskar, Rakesh K Roy, Diship Srivastava, Niladri Patra
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 128 (28) (2024)
Rakesh Kumar Roy, Abhishek Bera, Niladri Patra
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 64 (15) (2024)
Diship Srivastava, Niladri Patra
Enhanced Uptake of Anticancer C6-Pep Dimer in a Model Membrane Caused by Differential p K a in Acidic Microenvironment. The journal of physical chemistry. B (2023)
Kousik K Bhanja, Madhur Sharma, Niladri Patra
Uncovering the Structural and Binding Insights of Dual Inhibitors Simultaneously Targeting Two Distinct Sites on EGFR Kinase. The journal of physical chemistry. B (2023)
Diship Srivastava, Niladri Patra
Telescoping-Solvation-Box Protocol-Based Umbrella Sampling Method for Potential Mean Force Estimation. Journal of chemical information and modeling (2023)
Rakesh Kumar Roy, Niladri Patra
Probing the pH Sensitivity of OprM: Insights into Metastable States and Semi-Open Conformation. The journal of physical chemistry. B (2023)
Rakesh Kumar Roy, Niladri Patra
Prediction of COMT Inhibitors Using Machine Learning and Molecular Dynamics Methods. The journal of physical chemistry. B 126 (19) (2022)
Diship Srivastava, Niladri Patra
Self-Uptake Mechanism of Polymyxin-Based Lipopeptide against Gram-Negative Bacterial Membrane: Role of the First Adsorbed Lipopeptide. The journal of physical chemistry. B 126 (41) (2022)
Rakesh Kumar Roy, Niladri Patra
Configuration Flipping in Distal Pocket of Multidrug Transporter MexB Impacts the Efflux Inhibitory Mechanism. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)