The Wang Lab – Modeling Drug Molecules

王乾韬课题组 - 药物分子模拟

2016

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles

2022-10-08

Narth, C.; Lagardere, L.; Polack, E.; Gresh, N.; Wang, Q.; Bell, D.R.; Rackers, J.A.; Ponder, J.W.; Ren, P.Y.; Piquemal, J.-P., Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles, J. Comp. Chem., 2016 ,37 (5), 494-506