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Автор: Ambrish Kumar Srivastava (Editor)
Издательство: CRC Press
Год выхода: 2025
Страниц: 293
Формат: True PDF
Размер: 20,1 MB
Язык: английский
The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase.