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- [1] Protein-ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 33 (01) : 83 - 91Koukos, Panagiotis I.Xue, Li C.Bonvin, Alexandre M. J. J.
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- [3] D3R Grand Challenge 4: Blind prediction of protein-ligand poses and affinity predictionsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258Gaieb, ZiedParks, ConorChiu, MichaelYang, HuanwangShao, ChenghuaWalters, PatrickLewis, RichardBembenek, ScottBurley, StephenAmaro, RommieGilson, Michael
- [4] Protein–ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3Journal of Computer-Aided Molecular Design, 2019, 33 : 83 - 91Panagiotis I. KoukosLi C. XueAlexandre M. J. J. Bonvin
- [5] D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankingsJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 33 (01) : 1 - 18Gaieb, ZiedParks, Conor D.Chiu, MichaelYang, HuanwangShao, ChenghuaWalters, W. PatrickLambert, Millard H.Nevins, NeysaBembenek, Scott D.Ameriks, Michael K.Mirzadegan, TaraBurley, Stephen K.Amaro, Rommie E.Gilson, Michael K.
- [6] D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictionsJournal of Computer-Aided Molecular Design, 2016, 30 : 651 - 668Symon GathiakaShuai LiuMichael ChiuHuanwang YangJeanne A. StuckeyYou Na KangJim DelpropostoGinger KubishJames B. DunbarHeather A. CarlsonStephen K. BurleyW. Patrick WaltersRommie E. AmaroVictoria A. FeherMichael K. Gilson
- [7] D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPUJournal of Computer-Aided Molecular Design, 2019, 33 : 1071 - 1081Diogo Santos-MartinsJerome EberhardtGiulia BiancoLeonardo Solis-VasquezFrancesca Alessandra AmbrosioAndreas KochStefano Forli
- [8] D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPUJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 33 (12) : 1071 - 1081Santos-Martins, DiogoEberhardt, JeromeBianco, GiuliaSolis-Vasquez, LeonardoAmbrosio, Francesca AlessandraKoch, AndreasForli, Stefano
- [9] D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitorsJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 34 (02) : 163 - 177Sasmal, SukanyaEl Khoury, LeaMobley, David L.
- [10] D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitorsJournal of Computer-Aided Molecular Design, 2020, 34 : 163 - 177Sukanya SasmalLéa El KhouryDavid L. Mobley