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Journal of Computer-Aided Molecular Design|October 4, 2019
Assessing and improving the performance of consensus docking strategies using the DockBox packageJordane Preto, Francesco GentileJournal of Computer-Aided Molecular Design|February 18, 2021
Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditionsRaquel Rodríguez-Pérez, Jürgen BajorathJournal of Computer-Aided Molecular Design|November 12, 2021
Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testingVasyl Kovalishyn, Volodymyr Zyabrev, Maryna Kachaeva, et al.Journal of Computer-Aided Molecular Design|August 23, 2019
How computational chemistry develops: a tribute to Peter GoodfordGabriele Cruciani, Yvonne Martin, Andy Vinter, et al.Journal of Computer-Aided Molecular Design|August 23, 2019
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationshipsTomoyuki Miyao, Swarit Jasial, Jürgen Bajorath, et al.Journal of Computer-Aided Molecular Design|October 1, 1987
Energy minimization and molecular dynamics studies of Asn-102 elastaseB Lesyng, E F MeyerJournal of Computer-Aided Molecular Design|October 1, 1987
Molecular dynamics simulations of cyclosporin A: the crystal structure and dynamic modelling of a structure in apolar solution based on NMR dataJ Lautz, H Kessler, R Kaptein, et al.Journal of Computer-Aided Molecular Design|April 1, 1987
Modelling of alpha-lactalbumin from the known structure of hen egg white lysozyme using molecular dynamicsB Robson, E PlattJournal of Computer-Aided Molecular Design|April 1, 1987
WIZARD: AI in conformational analysisD P Dolata, A R Leach, K ProutJournal of Computer-Aided Molecular Design|April 1, 1987
Computer graphic study on models of the molybdenum cofactor of xanthine oxidaseG Folkers, M Krug, S TrumppPageof 263