Parallel version of a quantum classical molecular dynamics code for complex molecular and biomolecular systems
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Publisher
Springer Berlin Heidelberg
Link
http://link.springer.com/content/pdf/10.1007/3-540-63697-8_111
Reference12 articles.
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4. Grochowski P., Bala P., Lesyng B., McCammon J. A.: Density functional based parametrization of a valence bond method and its applications in quantum-classical molecular dynamics simulations of enzymatic reactions. Int. J. Quant. Chemistry 60 (1996) 1143–1164
5. Bala P., Lesyng B., McCammon J. A.: Extended Hellmann-Feynman theorem for non-stationary states and its application in Quantum-Classical Molecular Dynamics simulations. Chem. Phys. Lett. 219 (1994) 259–266
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Quantum dynamics of proton transfer processes in enzymatic reactions. Simulations of phospholipase A2;Berichte der Bunsengesellschaft für physikalische Chemie;1998-03
2. Advanced calculations and visualization of enzymatic reactions with the combined quantum classical molecular dynamics code;Lecture Notes in Computer Science;1998
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