Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields.

Shulga, D A

Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields. [electronic resource] - SAR and QSAR in environmental research Jan 2018 - 21-42 p. digital

Publication Type: Journal Article

1029-046X

10.1080/1062936X.2017.1406403 doi


Drug Discovery
Models, Molecular
Quantitative Structure-Activity Relationship
Static Electricity
Sulfur--chemistry