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List of works by Chetna Tyagi

Accelerated Molecular Dynamics Applied to the Peptaibol Folding Problem ⬇️

scientific article published on 30 August 2019

Development of dual inhibitors against Alzheimer's disease using fragment-based QSAR and molecular docking

scientific article

Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia

scientific article published on 29 October 2015

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

scientific article published on 8 December 2014

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2.

scientific article

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations

scientific article published on 10 February 2016

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors

scientific article

Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis

scientific article

Molecular Modeling of Chemosensory Protein 3 from Spodoptera litura and Its Binding Property with Plant Defensive Metabolites

scientific article published on 06 June 2020

Molecular modeling and molecular dynamics simulations based structural analysis of the SG2NA protein variants

scientific article

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

scientific article published on 6 March 2017

New 19-Residue Peptaibols from Clade Viride

scientific article published on 12 August 2018

Novel natural structure corrector of ApoE4 for checking Alzheimer's disease: benefits from high throughput screening and molecular dynamics simulations.

scientific article published on 13 November 2013

Tripleurin XIIc: Peptide Folding Dynamics in Aqueous and Hydrophobic Environment Mimic Using Accelerated Molecular Dynamics

article

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