Author

Nikhil Agrawal

Latvijas Organiskās Sintēzes InstitūtsORCID 0000-0002-5365-6332Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 2 Biochemistry· 1

Signature Assays, Organisms & Methods

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Assay:protein structure· 2 Approach:biophysical modeling· 1 Approach:experimental assay· 1 Research Focus:protein folding & dynamics· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

Jan BrezovskýiD· 2 shared Aaftaab SethiiD· 1 shared Aravind Selvaram ThirunavukarasuiD· 1 shared Bartłomiej SurpetaiD· 1 shared Carlos Eduardo Sequeiros-BorjaiD· 1 shared Cedrix J. Dongmo FoumthuimiD· 1 shared Dheeraj Kumar SarkariD· 1 shared Emilio ParisiniiD· 1 shared

Activity by Year

2021-2025 · peak 1/yr

Co-Author Collaboration Network

9 top collaborators · 22 mutual co-author links

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2 shared papersBioinformatics

Jan BrezovskýORCID

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3 papers

Recent·Most cited

BiochemistrybioRxivPreprintSep 2, 2025

Mechanistic Insights into Cross-β Sheet Formation in the HIV-Associated Amyloidogenic Peptide PAP248-286 from Unbiased All-Atom Molecular Dynamics Simulation

Nikhil Agrawal, Emilio Parisini

The paper uses molecular dynamics simulations to study the formation of cross-β sheets in the HIV-associated peptide PAP248-286, identifying key residues and thermodynamic properties of dimerization.

DOI 10.1101/2025.09.02.673649

protein structurebiophysical modeling

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BioinformaticsComputational and Structural Biotechnology JournalPeer-reviewedNov 2, 2024

Impact of water models on structure and dynamics of enzyme tunnels

Aaftaab Sethi, Nikhil Agrawal, Jan Brezovský

The paper investigates how different water models affect the structure and dynamics of enzyme tunnels using molecular dynamics simulations of three haloalkane dehalogenase variants.

17 citations

protein structurestatistical model

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BioinformaticsBioinformaticsPeer-reviewedDec 28, 2021

TransportTools: a library for high-throughput analyses of internal voids in biomolecules and ligand transport through them

Jan Brezovský, Aravind Selvaram Thirunavukarasu, Bartłomiej Surpeta…·Nikhil Agrawal

TransportTools enables efficient analysis of ligand transport pathways through voids in biomolecules using high-throughput molecular dynamics data.

15 citations

experimental assaysoftware / tool

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