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List of works by N Arul Murugan

Amyloid Fibril-Induced Structural and Spectral Modifications in the Thioflavin-T Optical Probe

scientific article

Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils

scientific article published on 28 February 2020

Density Functional Restricted-Unrestricted/Molecular Mechanics Theory for Hyperfine Coupling Constants of Molecules in Solution

scientific article published on 29 August 2011

Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling.

scientific article published on 9 April 2018

Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies.

scientific article published on 12 September 2017

Effect of Familial Mutations on the Interconversion of α-Helix to β-Sheet Structures in an Amyloid-Forming Peptide: Insight from Umbrella Sampling Simulations

scientific article published on 14 January 2019

Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement

scientific article published on 12 October 2018

Improved Binding Affinity of Omicron's Spike Protein for the Human Angiotensin-Converting Enzyme 2 Receptor Is the Key behind Its Increased Virulence

scientific article published on 21 March 2022

Mechanistic insight into the binding profile of DCVJ and α-synuclein fibril revealed by multi-scale simulations

scientific article published on 17 October 2018

Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal

scientific article published in 2024

Multiscale Modeling of Two-Photon Probes for Parkinson's Diagnostics Based on Monoamine Oxidase B Biomarker

scientific article published on 13 August 2020

Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein-Inhibitor Complexes in Relevance to Developing Parkinson's Therapeutics

scientific article published on 16 October 2020

Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

scientific article published on 10 July 2020

Unraveling the Unbinding Pathways of Products Formed in Catalytic Reactions Involved in SIRT1-3: A Random Acceleration Molecular Dynamics Simulation Study

scientific article published on 09 October 2019

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