Describing inhibitor specificity for the amino acid transporter LAT1 from metainference simulations
Keino Hutchinson, Dina Buitrago Silva, Joshua Bohlke, Chase Clausen, Allen A. Thomas, Massimiliano Bonomi, Avner Schlessinger
Topics & Concepts
TransporterDruggabilityDocking (animal)Amino acidMolecular dynamicsChemistryVirtual screeningComputational biologyBiochemistryDrug discoveryBiologyBiophysicsMedicineGeneComputational chemistryNursingAmino Acid Enzymes and MetabolismDrug Transport and Resistance MechanismsEpigenetics and DNA Methylation