Including ligand-induced protein flexibility into protein tunnel prediction. - Laura J. Kingsley; Markus A. Lill (J. Comput. Chem., 2014)

IterTunnel; a method for predicting and evaluating ligand EgressTunnels in proteins with buried active sites. - Laura J. Kingsley; Markus A. Lill (J. Cheminformatics, 2014)

Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations. - Laura J. Kingsley; Juan Esquivel-Rodríguez; Ying Yang; Daisuke Kihara; Markus A. Lill (J. Comput. Chem., 2016)

Importance of model size in quantum mechanical studies of DNA intercalation. - Drew P. Harding; Laura J. Kingsley; Glen Spraggon; Steven E. Wheeler (J. Comput. Chem., 2020)