Recent progress in molecular simulation methods for drug binding kinetics
Ariane Nunes‐Alves, Daria B. Kokh, Rebecca C. Wade
Topics & Concepts
Benchmark (surveying)Molecular dynamicsKineticsDrug discoveryDrugReceptor–ligand kineticsComputer scienceChemistrySampling (signal processing)Computational biologyComputational chemistryPharmacologyBiologyPhysicsBiochemistryGeographyGeodesyQuantum mechanicsComputer visionFilter (signal processing)Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function