Publications by authors named "Rebeca I Diaz Ventura"
J Phys Chem B
August 2024
Article Synopsis
- RNA research is expanding, but understanding its structural dynamics and interactions with small molecules remains limited, especially when compared to protein studies.
- This study focuses on addressing the weak CH···O interactions in RNA, which are significant yet often overlooked in force field development, particularly in widely used Amber RNA force fields.
- By adjusting the CH···O repulsion in these force fields, the study found that RNA simulations became more stable, resulting in improved accuracy in modeling RNA structures during molecular dynamics simulations.
J Chem Inf Model
August 2024
Article Synopsis
- - RNA molecules can form different structures, and stem-loops are a common one; this study analyzed 15 RNA stem-loop sequences using molecular dynamics simulations.
- - The analysis revealed that the stem regions generally adopt a stable A-form structure, but the loop regions are more variable and require adjustments for accurate modeling.
- - Current models for simulating RNA are still challenging, but the findings from this study could serve as a benchmark for testing new RNA modeling techniques in the future.
