Llwytho...
pmx: Automated protein structure and topology generation for alchemical perturbations
Computational protein design requires methods to accurately estimate free energy changes in protein stability or binding upon an amino acid mutation. From the different approaches available, molecular dynamics-based alchemical free energy calculations are unique in their accuracy and solid theoretic...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | J Comput Chem |
|---|---|
| Prif Awduron: | , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
BlackWell Publishing Ltd
2015
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4365728/ https://ncbi.nlm.nih.gov/pubmed/25487359 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23804 |
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