Recent advances in computational strategies for allosteric site prediction: Machine learning, molecular dynamics, and network-based approaches
Jianxiang Huang, Guo Qing Tang, Ning Liu, Xiaolong Li, Shaoyong Lu
Topics & Concepts
Allosteric regulationComputer scienceDrug discoveryLeverage (statistics)Computational biologyComputational modelGeneralizability theoryArtificial intelligenceMachine learningMultidisciplinary approachTransformative learningQuantitative structure–activity relationshipChemistryFlexibility (engineering)Systems biologyBiological networkGenomicsNanotechnologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics