MOLDYN: a generalized program for the evaluation of molecular dynamics models using nuclear magnetic resonance spin-relaxation data. - David J. Craik; Anil Kumar; George C. Levy (J. Chem. Inf. Comput. Sci., 1983)

Models for the binding of amiodarone to the thyroid hormone receptor. - David K. Chalmers; Sharon L. A. Munro; Magdy N. Iskander; David J. Craik (J. Comput. Aided Mol. Des., 1992)

CyBase: a database of cyclic protein sequence and structure. - Jason P. Mulvenna; Conan K. L. Wang; David J. Craik (Nucleic Acids Res., 2006)

ConoServer, a database for conopeptide sequences and structures. - Quentin Kaas; Jan-C. Westermann; Reena Halai; Conan K. L. Wang; David J. Craik (Bioinform., 2008)

CyBase: a database of cyclic protein sequences and structures, with applications in protein discovery and engineering. - Conan K. L. Wang; Quentin Kaas; Laurent Chiche; David J. Craik (Nucleic Acids Res., 2008)

Blockade of Neuronal α7-nAChR by α-Conotoxin ImI Explained by Computational Scanning and Energy Calculations. - Rilei Yu; David J. Craik; Quentin Kaas (PLoS Comput. Biol., 2011)

ConoServer: updated content, knowledge, and discovery tools in the conopeptide database. - Quentin Kaas; Rilei Yu; Ai-Hua Jin; Sébastien Dutertre; David J. Craik (Nucleic Acids Res., 2012)

Creating a specialist protein resource network: a meeting report for the protein bioinformatics and community resources retreat. - Patricia C. Babbitt; Pantelis G. Bagos; Amos Bairoch; Alex Bateman; Arnaud Chatonnet; Mark Jinan Chen; David J. Craik; Robert D. Finn; David E. Gloriam; Daniel H. Haft; Bernard Henrissat; Gemma L. Holliday; et al. (Database J. Biol. Databases Curation, 2015)

Accurate de novo design of hyperstable constrained peptides. - Gaurav Bhardwaj; Vikram Khipple Mulligan; Christopher D. Bahl; Jason M. Gilmore; Peta J. Harvey; Olivier Cheneval; Garry W. Buchko; Surya V. S. R. K. Pulavarti; Quentin Kaas; Alexander Eletsky; Po-Ssu Huang; William A. Johnsen; et al. (Nat., 2016)

Designing antimicrobial peptides using deep learning and molecular dynamic simulations. - Qiushi Cao; Cheng Ge; Xuejie Wang; Peta J. Harvey; Zixuan Zhang; Yuan Ma; Xianghong Wang; Xinying Jia; Mehdi Mobli; David J. Craik; Tao Jiang 057; Jinbo Yang; et al. (Briefings Bioinform., 2023)