Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons. - Neysa Nevins; Norman L. Allinger (J. Comput. Chem., 1996)

Molecular mechanics (MM4) calculations on alkenes. - Neysa Nevins; Kuo-Hsiang Chen; Norman L. Allinger (J. Comput. Chem., 1996)

Molecular mechanics (MM4) calculations on conjugated hydrocarbons. - Neysa Nevins; Jenn-Huei Lii; Norman L. Allinger (J. Comput. Chem., 1996)

D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings. - Zied Gaieb; Conor D. Parks; Michael Chiu; Huanwang Yang; Chenghua Shao; W. Patrick Walters; Millard H. Lambert; Neysa Nevins; Scott D. Bembenek; Michael K. Ameriks; Tara Mirzadegan; Stephen K. Burley; et al. (J. Comput. Aided Mol. Des., 2019)

Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge. - Matthew N. Bahr; Aakankschit Nandkeolyar; John K. Kenna; Neysa Nevins; Luigi Da Vià; Mehtap Isik; John D. Chodera; David L. Mobley (J. Comput. Aided Mol. Des., 2021)