Validation of Free Energy Methods in AMBER

Por Tsai, Hsu-Chun, Tao, Yujun, Lee, Tai-Sung, Merz, Kenneth M., York, Darrin M.
Publicado no J Chem Inf Model (2020)

Freshwater microalgae harvested via flocculation induced by pH decrease

Por Liu, Jiexia, Zhu, Yi, Tao, Yujun, Zhang, Yuanming, Li, Aifen, Li, Tao, Sang, Ming, Zhang, Chengwu
Publicado em 2013

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Por Lee, Tai-Sung, Lin, Zhixiong, Allen, Bryce K., Lin, Charles, Radak, Brian K., Tao, Yujun, Tsai, Hsu-Chun, Sherman, Woody, York, Darrin M.
Publicado no J Chem Theory Comput (2020)

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

Por Lee, Tai-Sung, Allen, Bryce K., Giese, Timothy J., Guo, Zhenyu, Li, Pengfei, Lin, Charles, McGee, T. Dwight, Pearlman, David A., Radak, Brian K., Tao, Yujun, Tsai, Hsu-Chun, Xu, Huafeng, Sherman, Woody, York, Darrin M.
Publicado no J Chem Inf Model (2020)