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Effect of Flexibility, Lipophilicity, and the Location of Polar Residues on the Passive Membrane Permeability of a Series of Cyclic Decapeptides

artículo científico publicado en 2021

Lessons for Oral Bioavailability: How Conformationally Flexible Cyclic Peptides Enter and Cross Lipid Membranes

artículo científico publicado en 2023

Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines

scientific article published on 05 November 2019

ReSCoSS: a flexible quantum chemistry workflow identifying relevant solution conformers of drug-like molecules

scientific article published on 17 August 2020

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