Refinement of the AMBER force field for nucleic acids: improving the description of α/γ conformers
We present here the parmbsc0 force field, a refinement of the AMBER parm99 force field,
where emphasis has been made on the correct representation of the α/γ concerted rotation …
where emphasis has been made on the correct representation of the α/γ concerted rotation …
Computational determination of the relative free energy of binding–application to alanine scanning mutagenesis
Protein-protein recognition and complex formation are key issues in understanding cellular
functions. Therefore, having in mind that it is of extreme importance to detect the functional …
functions. Therefore, having in mind that it is of extreme importance to detect the functional …
Development and validation of statistical potential functions for the prediction of protein/nucleic-acid interactions from structure
TA Robertson - 2007 - digital.lib.washington.edu
This work outlines the development, validation and application of a series of novel statistical
(knowledge-based) potential functions to the prediction of protein/nucleic-acid interactions …
(knowledge-based) potential functions to the prediction of protein/nucleic-acid interactions …
[PDF][PDF] Investigation of the structure and dynamics of RNA systems by molecular dynamics simulations
EC Widjajakusuma - 2007 - Citeseer
3.1. 2 Effect of electrostatic treatments on duplexes…...…..…………………. 39 3.1. 3
Conclusion………………………………….………………………….. 41 3.2 Different AMBER …
Conclusion………………………………….………………………….. 41 3.2 Different AMBER …