Methods in Molecular Biology - Quantum Mechanics in Drug Discovery
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Published By Springer US

9781071602812, 9781071602829
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scholarly journals Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method

2020 ◽  
pp. 163-175
Author(s):  
Alexander Heifetz ◽  
Tim James ◽  
Michelle Southey ◽  
Inaki Morao ◽  
Dmitri G. Fedorov ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Fragment Molecular Orbital ◽  
Ligand Interactions

Computational Methods for Biochemical Simulations Implemented in GAMESS

2020 ◽  
pp. 123-142
Author(s):  
Dmitri G. Fedorov ◽  
Hui Li ◽  
Vladimir Mironov ◽  
Yuri Alexeev
Keyword(s):  
Computational Methods
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