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phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids.
J Chem Theory Comput. 2024 Aug 16. doi: 10.1021/acs.jctc.4c00732. Online ahead of print.
J Chem Theory Comput. 2024.
PMID: 39151116
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations.
Raguette LE, Gunasekera SS, Diaz Ventura RI, Aminov E, Linzer JT, Parwana D, Wu Q, Simmerling C, Nagan MC.
Raguette LE, et al.
J Phys Chem B. 2024 Aug 22;128(33):7921-7933. doi: 10.1021/acs.jpcb.4c01910. Epub 2024 Aug 7.
J Phys Chem B. 2024.
PMID: 39110091
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