Molecular modeling consists of applications of various computational technology, computational biology, drug designing, the common features of molecular modeling is atomistic level description of the molecular systems. Molecular modeling helps in minimizing the time required invitro drug discovery research it also includes, molecular mechanics which mainly contains applications of physics, mathematics. The molecular modeling and cheminformatics capabilities to help in drug discovery, drug design, and drug development. The advance methods of molecular modeling includes, application of computer-aided drug design (CADD); modeling of proteins and biomolecular targets; quantitative structure-activity relationship analyses (QSAR); and in silico prediction of ADME properties.
Last date updated on January, 2021