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Journal of Computer-Aided Molecular Design|January 11, 2000
Computational design of D-peptide inhibitors of hepatitis delta antigen dimerizationC D Elkin, H J Zuccola, J M Hogle, et al.Journal of Computer-Aided Molecular Design|November 18, 2017
Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptideMichio Iwaoka, Toshiki Suzuki, Yuya Shoji, et al.Journal of Computer-Aided Molecular Design|November 12, 2017
Effective prediction of bacterial type IV secreted effectors by combined features of both C-termini and N-terminiYu Wang, Yanzhi Guo, Xuemei Pu, et al.Journal of Computer-Aided Molecular Design|March 30, 2018
Molecular dynamics characterization of the SAMHD1 Aicardi-Goutières Arg145Gln mutant: structural determinants for the impaired tetramerizationFrancesca Cardamone, Mattia Falconi, Alessandro DesideriJournal of Computer-Aided Molecular Design|March 23, 2018
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculationsLuan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, et al.Journal of Computer-Aided Molecular Design|December 20, 2018
Active learning strategies with COMBINE analysis: new tricks for an old dogLucia Fusani, Alvaro Cortes CabreraJournal of Computer-Aided Molecular Design|November 28, 2018
Individually double minimum-distance definition of protein-RNA binding residues and application to structure-based predictionWen Hu, Liu Qin, Menglong Li, et al.Journal of Computer-Aided Molecular Design|November 24, 2019
Discovery of a potential positive allosteric modulator of glucagon-like peptide 1 receptor through virtual screening and experimental studyTejashree Redij, Jian Ma, Zhiyu Li, et al.Journal of Computer-Aided Molecular Design|November 28, 2019
COSMO-RS based predictions for the SAMPL6 logP challengeChristoph Loschen, Jens Reinisch, Andreas KlamtJournal of Computer-Aided Molecular Design|November 28, 2019
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidaseChonnikan Hanpaibool, Matina Leelawiwat, Kaito Takahashi, et al.Pageof 263