Binding free energy

DATASET 1

SKEMPI 2 dat set

F

Reference: Jankauskaite, Jiménez-García, Dapkunas, Fernández-Recio, I.H Moal, SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy,kinetics and thermodynamics upon mutation, Bioinformatics. 2019 Feb 1;35(3):462-469. doi: 10.1093/bioinformatics/bty635.   PUBMED  

DATASET 2

Flex ddG data set

F

Reference: KA.Barlow, Sh.Ó Conchúir, S.Thompson, P.Suresh, J.E.Lucas, M.Heinonen, T.Kortemme, Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation, J Phys Chem B.2018 May 31;122(21):5389-5399. doi: 10.1021/acs.jpcb.7b11367.   PUBMED  

DATASET 3

SAAMBE data set

F

Reference: M.Petukh, L.Dai, E.Alexov, SAAMBE: Webserver to Predict the Charge of Binding Free Energy Caused by Amino Acids Mutations,Bioinformatics. Int J Mol Sci. 2016 Apr 12;17(4):547. doi: 10.3390/ijms17040547.  PUBMED  

Last updated: 2021-02-07 by Niloofar Shirvanizadeh.