K. Shawn Watts

According to our database, K. Shawn Watts authored at least 3 papers between 2010 and 2025.

Collaborative distances:

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

2025

ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha.

Meng Liu, Karl Leswing, Simon K. S. Chu, Farhad Ramezanghorbani, Griffin Young, Gabriel Marques, Prerna Das, Anjali Panikar, Esther Jamir, Mohammed Sulaiman Shamsudeen, K. Shawn Watts, Ananya Sen, Hari Priya Devannagari, Edward B. Miller, Muyun Lihan, Howook Hwang, Janet Paulsen, Xin Yu, Kyle Gion, Timur Rvachov, Emine Küçükbenli, Saee Gopal Paliwal

CoRR, July, 2025

2014

Macrocycle Conformational Sampling with MacroModel.

K. Shawn Watts, Pranav Dalal, Andrew J. Tebben, Daniel L. Cheney, John C. Shelley

J. Chem. Inf. Model., 2014

2010

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers.

K. Shawn Watts, Pranav Dalal, Robert B. Murphy, Woody Sherman, Richard A. Friesner, John C. Shelley

J. Chem. Inf. Model., 2010