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Molecular Modeling
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Computer-assisted chemistry, also known as molecular modeling, involves theoretical and computational methods used to study molecular structure and reactivity. Advances in computational tools and protein structure determination have made these approaches, particularly molecular docking, essential for understanding biological mechanisms. This educational book is intended for students and teachers in chemistry, biology, and pharmacy, and presents the fundamentals of molecular modeling through five core chapters, complemented by a practical example illustrating the application of these methods.
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Computer-assisted chemistry, also known as molecular modeling, involves theoretical and computational methods used to study molecular structure and reactivity. Advances in computational tools and protein structure determination have made these approaches, particularly molecular docking, essential for understanding biological mechanisms. This educational book is intended for students and teachers in chemistry, biology, and pharmacy, and presents the fundamentals of molecular modeling through five core chapters, complemented by a practical example illustrating the application of these methods.
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