Qmmm 2023: A Program for Combined Quantum Mechanical and Molecular Mechanical Modeling and Simulations
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Elsevier BV
Reference135 articles.
1. Xin-Ping Wu started his work on the QMMM program when he was at the University of Minnesota (2016-2019) and continued to work on the program development after relocating to the East China;Hai Lin thanks the Minnesota Supercomputing Institute for a Research Scholarship,2004
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3. A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH 3 Cl + Cl -exchange reaction and gas phase protonation of polyethers;U C Singh;J. Comput. Chem,1986
4. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations;M J Field;J. Comput. Chem,1990
5. IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states;F Maseras;J. Comput. Chem,1995
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