QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods.

Pokorná, Pavlína

QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods. [electronic resource] - Journal of chemical theory and computation Oct 2018 - 5419-5433 p. digital

Publication Type: Journal Article

1549-9626

10.1021/acs.jctc.8b00670 doi


Bacillus subtilis--chemistry
Bacterial Proteins--chemistry
Humans
Hydrogen Bonding
Molecular Dynamics Simulation--economics
Quantum Theory
RNA--chemistry
RNA-Binding Proteins--chemistry
Ribonucleoprotein, U1 Small Nuclear--chemistry
Software