Neysa Nevins

According to our database, Neysa Nevins authored at least 5 papers between 1996 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Automated high throughput pK_a 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

2019

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, Rommie E. Amaro, Michael K. Gilson

J. Comput. Aided Mol. Des., 2019

1996

Molecular mechanics (MM4) calculations on conjugated hydrocarbons.

Neysa Nevins, Jenn-Huei Lii, 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) vibrational frequency calculations for alkenes and conjugated hydrocarbons.

Neysa Nevins, Norman L. Allinger

J. Comput. Chem., 1996