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Membrane_​permeability

Physics-Based Membrane PermeabilityCalculates an estimated passive membrane permeability for a ligand structure by comparing the energy optimized conformations ofthat ligand in low and high dielectric. Calculates the amphipilic moment of positively charged molecules. 10 ligands1 formHost logSructures of the ligands in the most likely conformation inside the membraneand contributions to the Membrane HDLD propertyFree energy properties and logarithm of the predicted RRCK permeability2D Molecule Reader(to MAE) LigPrep Membranepermeability Table Viewer Run Maestro Table Viewer MAE-to-Smiles Table Viewer Physics-Based Membrane PermeabilityCalculates an estimated passive membrane permeability for a ligand structure by comparing the energy optimized conformations ofthat ligand in low and high dielectric. Calculates the amphipilic moment of positively charged molecules. 10 ligands1 formHost logSructures of the ligands in the most likely conformation inside the membraneand contributions to the Membrane HDLD propertyFree energy properties and logarithm of the predicted RRCK permeability2D Molecule Reader(to MAE) LigPrep Membranepermeability Table Viewer Run Maestro Table Viewer MAE-to-Smiles Table Viewer

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On NodePit since: 2020-08-12
Last update: 2024-05-01
Created with KNIME version: v4.1.1

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