CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints

Xuchang Ouyang, Shuo Zhou, Chinh Tran To Su, Zemei Ge, Runtao Li, Chee Keong Kwoh. CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints. Journal of Computational Chemistry, 34(4):326-336, 2013. [doi]

Abstract

Abstract is missing.