Accurate Prediction of Protein Thermodynamic Stability Changes upon Residue Mutation using Free Energy Perturbation
Guido Scarabelli, E.O. Oloo, Johannes Maier, Agustina Rodriguez-Granillo
Topics & Concepts
Protein stabilityPerturbation (astronomy)Biological systemStability (learning theory)Molecular dynamicsFree energy perturbationExperimental dataComputer scienceAmino acid residueChemistryBiochemical engineeringMathematicsComputational chemistryStatisticsPhysicsBiochemistryMachine learningPeptide sequenceBiologyGeneQuantum mechanicsEngineeringProtein Structure and DynamicsProtein purification and stabilityRNA and protein synthesis mechanisms