PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy
| Title | PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy |
| Publication Type | Journal Article |
| Year of Publication | 2010 |
| Authors | Gopal, SM, Mukherjee, S, Cheng, Y-M, Feig, M |
| Journal | Proteins: Structure, Function, and Bioinformatics |
| Volume | 78 |
| Issue | 5 |
| Pagination | 1266-1281 |
| Date Published | 04/2010 |
| Type of Article | Research |
| Abstract | The new coarse graining model PRIMO/PRIMONA for proteins and nucleic acids is proposed. This model combines one to several heavy atoms into coarse-grained sites that are chosen to allow an analytical, high-resolution reconstruction of all-atom models based on molecular bonding geometry constraints. The accuracy of proposed reconstruction method in terms of structure and energetics is tested and compared with other popular reconstruction methods for a variety of protein and nucleic acid test sets. Proteins 2010. © 2009 Wiley-Liss, Inc. |