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Journal of Computer-Aided Molecular Design|July 6, 2014
Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complexWarachai Praditwongwan, Phimonphan Chuankhayan, Somphot Saoin, et al.Journal of Computer-Aided Molecular Design|December 25, 2015
New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists bindingCecylia S Lupala, Patricia Gomez-Gutierrez, Juan J PerezJournal of Computer-Aided Molecular Design|March 31, 2016
Alignment-independent technique for 3D QSAR analysisJon G Wilkes, Iva B Stoyanova-Slavova, Dan A BuzatuJournal of Computer-Aided Molecular Design|February 11, 2016
A k-nearest neighbor classification of hERG K(+) channel blockersSwapnil Chavan, Ahmed Abdelaziz, Jesper G Wiklander, et al.Journal of Computer-Aided Molecular Design|March 1, 1989
Constrained search of conformational hyperspaceR A Dammkoehler, S F Karasek, E F Shands, et al.Journal of Computer-Aided Molecular Design|May 11, 2016
Computational approaches for predicting mutant protein stabilityShweta Kulshreshtha, Vigi Chaudhary, Girish K Goswami, et al.Journal of Computer-Aided Molecular Design|November 10, 2017
Obituary: Toshio Fujita, QSAR pioneerMiki Akamatsu, Tudor I OpreaJournal of Computer-Aided Molecular Design|November 10, 2017
Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2Christina Athanasiou, Sofia Vasilakaki, Dimitris Dellis, et al.Journal of Computer-Aided Molecular Design|February 17, 2025
In silico exploration of natural xanthone derivatives as potential inhibitors of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) replication and cellular entryVincent A Obakachi, Vaderament-A Nchiozem-Ngnitedem, Krishna K Govender, et al.Journal of Computer-Aided Molecular Design|December 26, 2024
ConoDL: a deep learning framework for rapid generation and prediction of conotoxinsMenghan Guo, Zengpeng Li, Xuejin Deng, et al.Pageof 263