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OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations
We present OpenAWSEM and Open3SPN2, new cross-compatible implementations of coarse-grained models for protein (AWSEM) and DNA (3SPN2) molecular dynamics simulations within the OpenMM framework. These new implementations retain the chemical accuracy and intrinsic efficiency of the original models whi...
שמור ב:
| הוצא לאור ב: | PLoS Comput Biol |
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| Main Authors: | , , , , , , , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Public Library of Science
2021
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7906472/ https://ncbi.nlm.nih.gov/pubmed/33577557 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1008308 |
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