Molecular dynamics simulation software for biological systems
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Added 10 Jul 2026
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CHARMM is a molecular dynamics simulation program that models the behavior of complex biological systems, including proteins, nucleic acids, and lipids, using a range of energy functions and enhanced sampling methods. It supports multi-scale techniques such as QM/MM and MM/CG, and has been used in various research applications, including materials design and protein structure prediction. CHARMM is distributed at no cost to academic users and is actively maintained by a large group of developers.
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