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Niladri Patra

Associate Professor

Indian Institute of Technology (Indian School of Mines), Dhanbad

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Professors in Biochemistry

Articles (20)

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2026

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2026

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2025

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2025

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2025

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2024

Collaborators (4)

Parthasarathi Das

Professor

Indian Institute of Technology (Indian School of Mines), Dhanbad

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Hari Pada Nayek

Indian Institute of Technology (Indian School of Mines), Dhanbad

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Sumanta Kumar Padhi

Associate Professor

Indian Institute of Technology (Indian School of Mines), Dhanbad

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Sumanta Kumar Sahu

Associate Professor

Indian Institute of Technology (Indian School of Mines), Dhanbad

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Niladri Patra

Research Interests

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Articles (20)

A Self-Therapeutic Upconversion Polyphenolic Nanoreactor for NIR-Assisted Multifaceted ROS Generation and Dual Chemotherapy

Element-Ligand Cooperativity of Hypervalent Organotin(IV) Compounds in Hydroboration Reaction of Carbonyl Compounds

Mutation-Dependent Conformational Dynamics and Dual-Mode Afatinib Binding in EGFR Exon 19 Variants

Estimation of Absolute Protein–DNA Binding Free Energy Using Streamlined Geometric Formalism

Mutation-Driven Remodeling of the LRRK2 Kinase Free-Energy Landscape and Its Consequences for Conformational Transitions and Inhibitor Binding Affinity

Elucidating the Role of Protein–Protein Interactions in Modulating Inhibitor Affinity and Release Mechanisms in Serine Arginine Protein Kinase

Dual Allosteric and Orthosteric Inhibition of 14‐3‐3ζ–α‐Synuclein Interaction: A Multiscale Simulation and Machine Learning Approach

Effect of Cholesterol on the Gramicidin A Induced Membrane Curvature and Order Parameter

A Hybrid OPES-eABF Framework for Efficient Exploration and Data-Driven Collective Variable Discovery in Complex Free-Energy Landscapes

Exploring the Structural Dynamics of SRPK1 to Identify Competitive Inhibitors via Molecular Modeling Techniques

Integrated first-principles, SCAPS-1D, and a ML framework for numerical modelling and performance optimization of BaXS3 (X = Zr, Hf)-based perovskite solar cells

Solvent-free hydrosilylation of carbonyl compounds catalyzed by organotin(iv) compounds

Arylthianthrenium Salts Enabled Palladium-Catalyzed Regioselective Arylation: Access to Value-Added 7-Azaindoles

Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models

A Catalytic Perspective on Erythromycin Hydrolysis by Erythromycin Esterase C: Combined CpHMD and QM/MM Metadynamics Study

Mechanistic Insights into Ligand-Mediated Modulation of 14-3-3η/Parkin Interaction through Molecular Dynamics and Enhanced Sampling Simulations

Exploring Metastable States along UUCG Unfolding Pathway Using Drude Force Field

Identification of Novel Fourth-Generation Allosteric Inhibitors Targeting Inactive State of EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach

Optimizing oil detachment from silica surfaces using gemini surfactants and functionalized silica nanoparticles: a combined molecular dynamics and machine learning approach

Cover Feature: Physicochemical Analysis of Cu(II)‐Driven Electrochemical CO2 Reduction and its Competition with Proton Reduction (Chem. Eur. J. 70/2024)

Collaborators (4)

Parthasarathi Das

Hari Pada Nayek

Sumanta Kumar Padhi

Sumanta Kumar Sahu

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