CHARMM-GUI PDB Reader and Manipulator: Covalent Ligand Modeling and Simulation
Covalent Modifiers
MARCH 30, 2024
Lingyang Kong, Sang-Jun Park Wonpil Im Journal of Molecular Biology , 2024 [link] Molecular modeling and simulation serve an important role in exploring biological functions of proteins at the molecular level, which is complementary to experiments. CHARMM-GUI ([link] is a web-based graphical user interface that generates molecular simulation systems and input files, and we have been continuously developing and extending its functionalities to facilitate various complex modeling and make molecula
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