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A theoretical study on the molecular determinants of the affibody protein Z(Aβ3) bound to an amyloid β peptide.

artículo científico publicado en 2015

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

scientific article published on 28 February 2020

Computational studies of the binding profile of phosphoinositide PtdIns (3,4,5) P₃ with the pleckstrin homology domain of an oomycete cellulose synthase

artículo científico publicado en 2016

Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes

artículo científico publicado en 2019

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2

artículo científico publicado en 2020

Free Energy Profile for Penetration of Pittsburgh Compound-B into the Amyloid β Fibril

artículo científico publicado en 2019

In silico investigation of interactions between human cannabinoid receptor-1 and its antagonists

artículo científico publicado en 2012

Insight into the adsorption profiles of the Saprolegnia monoica chitin synthase MIT domain on POPA and POPC membranes by molecular dynamics simulation studies.

artículo científico publicado en 2016

Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-β(1-42) Fibril by Molecular Docking and Molecular Dynamics Methods

artículo científico publicado en 2015

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

scientific article published on 17 October 2018

Mechanistic insights into peptide and ligand binding of the ATAD2-bromodomain via atomistic simulations disclosing a role of induced fit and conformational selection

scientific article published on 01 September 2018

Selective ligands of estrogen receptor β discovered using pharmacophore mapping and structure-based virtual screening.

artículo científico publicado en 2014

Structural and functional characterization of the microtubule interacting and trafficking domains of two oomycete chitin synthases

artículo científico publicado en 2016

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