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Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling
The OPLS-AA all-atom force field and the Analytical Generalized Born plus Non-Polar (AGBNP) implicit solvent model, in conjunction with torsion angle conformational search protocols based on the Protein Local Optimization Program (PLOP), are shown to be effective in predicting the native conformatio...
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| Autori principali: | , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2008
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2533438/ https://ncbi.nlm.nih.gov/pubmed/18787648 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct800051k |
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