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Adaptive multilevel splitting method for molecular dynamics calculation of benzamidine-trypsin dissociation time
Adaptive Multilevel Summation (AMS) is a rare event sampling method that requires minimal parameter tuning and that allows unbiased sampling of transition pathways of a given rare event. Previous simulation studies have verified the efficiency and accuracy of AMS in the calculation of transition tim...
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| Publicat a: | J Chem Theory Comput |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2016
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5724379/ https://ncbi.nlm.nih.gov/pubmed/27159059 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00277 |
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