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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

artículo científico publicado en 2014

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2020

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

artículo científico publicado en 2014

Natural polyphenolic inhibitors against the antiapoptotic BCL-2.

artículo científico publicado en 2017

New 19-Residue Peptaibols from Clade Viride

artículo científico publicado en 2018

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

artículo científico publicado en 2013

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

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