Reliable <i>In Silico</i> Ranking of Engineered Therapeutic TCR Binding Affinities with MMPB/GBSA
Rory Crean, Christopher R. Pudney, David K. Cole, Marc W. van der Kamp
Abstract
screening during the optimization of therapeutic TCRs, potentially reducing both the cost and time taken for biologic development.
Topics & Concepts
In silicoBinding affinitiesAffinitiesComputational biologyT-cell receptorPharmacophoreMolecular dynamicsRanking (information retrieval)ChemistryBiologyComputer scienceBioinformaticsT cellGeneticsGeneReceptorMachine learningBiochemistryComputational chemistryImmune systemvaccines and immunoinformatics approachesMonoclonal and Polyclonal Antibodies ResearchRNA and protein synthesis mechanisms