Pokorná, Pavlína <br/><br/>
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 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-9626 
<br/><br/><label>Standard No.: </label>10.1021/acs.jctc.8b00670  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Bacillus subtilis--chemistry<br/>Bacterial Proteins--chemistry<br/>Humans<br/>Hydrogen Bonding<br/>Molecular Dynamics Simulation--economics<br/>Quantum Theory<br/>RNA--chemistry<br/>RNA-Binding Proteins--chemistry<br/>Ribonucleoprotein, U1 Small Nuclear--chemistry<br/>Software