Abstract: The lecture describes the basic principles of computational chemistry underlying the methods of molecular modeling used in bioinformatics area. The basic positions, methods of molecular and quantum mechanics and combined approaches are considered. This lecture is from theoretical cycle “Bioinformatics and Computer-Aided Drug Design” for fourth years students of Medico-Biological Department of Russian State Medical University (specialty – biochemistry, biophysics and medical cybernetics). It can also be advised for all students and post-graduate students of medico-biological specialties.
Reference: Ivanov A.S., Basic principles of computational chemistry for medico-biologists, Biomeditsinskaya khimiya, 2005, vol: