In this manuscript, we report the development and testing of a computational program (QMTSDock) that can automatically search the conformational space of a noncovalent interaction catalyzed transition state or molecular clusters, using quantum mechanics (QM) methods. 
QMTSDock
In this manuscript, we report the development and testing of a computational program (QMTSDock) that can automatically search the conformational space of a noncovalent interaction catalyzed transition state or molecular clusters, using quantum mechanics (QM) methods. 
QMTSDock
In this manuscript, we report the development and testing of a computational program (QMTSDock) that can automatically search the conformational space of a noncovalent interaction catalyzed transition state or molecular clusters, using quantum mechanics (QM) methods. 
QMTSDock