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Wang, B., Yan, C., Lou, S., Emani, P., Li, B., Xu, M., ... & Gerstein, M. (2019). Building a hybrid physical-statistical classifier for predicting the effect of variants related to protein-drug interactions. Structure, 27(9), 1469-1481.
Wang, Bo, et al. "Building a hybrid physical-statistical classifier for predicting the effect of variants related to protein-drug interactions." Structure 27.9 (2019): 1469-1481.
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B Wang, C Yan, S Lou, P Emani, B Li, M Xu, X Kong… - Structure, 2019 - Elsevier

Building a hybrid physical-statistical classifier for predicting the effect of variants related to protein-drug interactions.

Build and Broaden 3.0 AND Program Evaluation

Emani, Li, Lou, Xu, Yan

GSID: Bcf71QpuPT8J

Excerpt

A key issue in drug design is how population variation affects drug efficacy by altering binding affinity (BA) in different individuals, an essential consideration for government regulators. Ideally, we would like to evaluate the BA perturbations of millions of single-nucleotide variants (SNVs). However, only hundreds of protein-drug complexes with SNVs have experimentally characterized BAs, constituting too small a gold standard for straightforward statistical model training. Thus, we take a hybrid approach: using physically …

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