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Consensus scoring evaluated using the GPCR-Bench dataset: Reconsidering the role of MM/GBSA.
J Comput Aided Mol Des. 2022 Jun;36(6):427-441. doi: 10.1007/s10822-022-00456-3. Epub 2022 May 18.
J Comput Aided Mol Des. 2022.
PMID: 35581483
Benchmarking the performance of MM/PBSA in virtual screening enrichment using the GPCR-Bench dataset.
Yau MQ, Emtage AL, Loo JSE.
Yau MQ, et al.
J Comput Aided Mol Des. 2020 Nov;34(11):1133-1145. doi: 10.1007/s10822-020-00339-5. Epub 2020 Aug 27.
J Comput Aided Mol Des. 2020.
PMID: 32851579
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Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.
Yau MQ, Emtage AL, Chan NJY, Doughty SW, Loo JSE.
Yau MQ, et al.
J Comput Aided Mol Des. 2019 May;33(5):487-496. doi: 10.1007/s10822-019-00201-3. Epub 2019 Apr 15.
J Comput Aided Mol Des. 2019.
PMID: 30989574
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