研究领域
生物分子体系中非键作用的准确快速度量和分子模拟方法 理论与计算化学
近期论文
Hao J-J, Wang C-S*, Rapid Evaluation of the Interaction Energies for Carbohydrate-Containing Hydrogen-Bonded Complexes via the Polarizable Dipole-Dipole Interaction Model Combined with NBO charge or AM1 charge, RSC Adv. 2015, 5: 6452-6461. doi: 10.1039/C4RA12814A
Li S-S, Huang C-Y, Hao J-J, Wang C-S*, A Polarizable Dipole-Dipole Interaction Model for Evaluation of the Interaction Energy for N–H∙∙∙O=C and C–H∙∙∙O=C Hydrogen-Bonded Complexes, J. Comput. Chem. 2014, 35(6): 415-426. doi: 10.1002/jcc.23473
Li Y, Wang C-S*, Rapid evaluation of the binding energies between peptide amide and DNA base, J Comput Chem 2011, 32(13): 2765-2773
Sun C-L, Jiang X-N, Wang C-S*, An analytic potential energy function for the amide-amide and amide-water intermolecular hydrogen bonds in peptides, J Comput Chem 2009, 30(15): 2567-2575