Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized born implicit-solvent model. - Yuhang Wang 027; Jason A. Wallace; Peter H. Koenig; Jana K. Shen (J. Comput. Chem., 2011)

Quantum simulations of SARS-CoV-2 main protease Mpro enable high-quality scoring of diverse ligands. - Yuhang Wang 027; Sruthi Murlidaran; David A. Pearlman (J. Comput. Aided Mol. Des., 2021)