Optimization of an <i>in Silico</i> Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
Pedro R. Magalhães, Pedro B. P. S. Reis, Diogo Vila‐Viçosa, Miguel Machuqueiro, Bruno L. Victor
Abstract
protocol that can be adopted as a future reference method to identify membrane PAINS.
Topics & Concepts
In silicoMembraneChemistryMembrane permeabilityLipid bilayerBiological systemProtocol (science)BiophysicsMolecular dynamicsBiochemistryComputational chemistryBiologyMedicinePathologyAlternative medicineGeneLipid Membrane Structure and BehaviorDNA and Nucleic Acid ChemistryProtein Interaction Studies and Fluorescence Analysis