Metal-MFCC method is a new Fragment scheme that focus on accuracy calculation of the metalloprote in energy and atomic forces for simulating the interaction
The potential energy profile of microhydrated fluorine ion reaction with methyl iodine has been characterized be extensive electricity structure calculation
In 2009,the interesting photochromic photoswitchable [Au{4,5-bis(2,5-dimethylthien-3-yl)-1,3-dimethylimidazol-2-ylidene}(cb z)](1)were synthesized and inves
Atom-bond electronegativity equalization method(ABEEM),1 as a choice of polarization force field,assists us to investigate hydrogen-bond and Coulomb interac
Doxorubicin(DOX)is an antitumor antibiotic,and is commonly used in the standard treatment for a wide range of cancers.However,DOX chemotherapy causes signif