Article

Reliable <i>in silico</i> ranking of engineered therapeutic TCR binding affinities with MMPB/GBSA

2021-06-21

Abstract excerpt

Accurate and efficient in silico ranking of protein-protein binding affinities is useful for protein design with applications in biological therapeutics. One popular approach to rank binding affinities is to apply the molecular mechanics Poisson Boltzmann/generalized Born surface area (MMPB/GBSA) method to molecular dynamics trajectories. Here, we identify protocols that enable the reliable evaluation of T-cell re...

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Literature Corpus work: 72163f92-36cd-5722-8c3b-39b276ad6ecb
DOI: 10.1101/2021.06.21.449221

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