Kira A. Armacost

Publication Activity (10 Years)

Years Active: 2018-2020
Publications (10 Years): 6

Top Topics

Grand Challenge

Computational Chemistry

Prediction Error

African Americans

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Kira A. Armacost, Sereina Riniker, Zoe Cournia
Novel Directions in Free Energy Methods and Applications. J. Chem. Inf. Model. 60 (1) (2020)
Kira A. Armacost, Sereina Riniker, Zoe Cournia
Exploring Novel Directions in Free Energy Calculations. J. Chem. Inf. Model. 60 (11) (2020)
Giulia Palermo, Kira A. Armacost, Maria C. Nagan
Women Make COMP: Mentoring the Next Generation of Women in Computational Chemistry. J. Chem. Inf. Model. 59 (10) (2019)
Xavier Fradera, Andreas Verras, Yuan Hu, Deping Wang, Hongwu Wang, James I. Fells, Kira A. Armacost, Alejandro Crespo, Brad Sherborne, Huijun Wang, Zhengwei Peng, Ying-Duo Gao
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. J. Comput. Aided Mol. Des. 32 (1) (2018)
Kira A. Armacost
The Transition from Academia: Overcoming the Barrier to a Career in the Drug Discovery Industry. J. Chem. Inf. Model. 58 (6) (2018)
Ying-Duo Gao, Yuan Hu, Alejandro Crespo, Deping Wang, Kira A. Armacost, James I. Fells, Xavier Fradera, Hongwu Wang, Huijun Wang, Brad Sherborne, Andreas Verras, Zhengwei Peng
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. J. Comput. Aided Mol. Des. 32 (1) (2018)