Importance of discriminator base stacking interactions: molecular dynamics analysis of A73 microhelixAla variants. - Maria C. Nagan; Penny Beuning; Karin Musier-Forsyth; Christopher J. Cramer (Nucleic Acids Res., 2000)

Women Make COMP: Mentoring the Next Generation of Women in Computational Chemistry. - Giulia Palermo; Kira A. Armacost; Maria C. Nagan (J. Chem. Inf. Model., 2019)

The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry. - Kelly Anderson; Sarah Arradondo; K. Aurelia Ball; Chrystal D. Bruce; Maria A. Gomez; Kedan He; Heidi Hendrickson; Lindsey Madison; Ashley Ringer McDonald; Maria C. Nagan; Caitlin E. Scott; Patricia Soto; et al. (J. Chem. Inf. Model., 2022)

AmberTools. - David A. Case; Hasan Metin Aktulga; Kellon Belfon; David S. Cerutti; G. Andrés Cisneros; Vinícius Wilian D. Cruzeiro; Negin Forouzesh; Timothy J. Giese; Andreas W. Götz; Holger Gohlke; Saeed Izadi; Koushik Kasavajhala; et al. (J. Chem. Inf. Model., 2023)

Accurately Modeling RNA Stem-Loops in an Implicit Solvent Environment. - Jason T. Linzer; Ethan Aminov; Aalim S. Abdullah; Colleen E. Kirkup; Rebeca I. Diaz Ventura; Vinay R. Bijoor; Jiyun Jung; Sophie Huang; Chi Gee Tse; Emily Álvarez Toucet; Hugo P. Onghai; Arghya P. Ghosh; et al. (J. Chem. Inf. Model., 2024)

Recent Developments in Amber Biomolecular Simulations. - David A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambasu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; et al. (J. Chem. Inf. Model., 2025)