Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. - Xavier Fradera; Andreas Verras; Yuan Hu 002; Deping Wang; Hongwu Wang; James I. Fells; Kira A. Armacost; Alejandro Crespo; Brad Sherborne; Huijun Wang; Zhengwei Peng; Ying-Duo Gao (J. Comput. Aided Mol. Des., 2018)

Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. - Ying-Duo Gao; Yuan Hu 002; Alejandro Crespo; Deping Wang; Kira A. Armacost; James I. Fells; Xavier Fradera; Hongwu Wang; Huijun Wang; Brad Sherborne; Andreas Verras; Zhengwei Peng (J. Comput. Aided Mol. Des., 2018)

The Transition from Academia: Overcoming the Barrier to a Career in the Drug Discovery Industry. - Kira A. Armacost (J. Chem. Inf. Model., 2018)

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)

Novel Directions in Free Energy Methods and Applications. - Kira A. Armacost; Sereina Riniker; Zoe Cournia (J. Chem. Inf. Model., 2020)

Exploring Novel Directions in Free Energy Calculations. - Kira A. Armacost; Sereina Riniker; Zoe Cournia (J. Chem. Inf. Model., 2020)