Academic Journal
Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling.
| العنوان: | Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling. |
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| المؤلفون: | Lee, Suemin, Wang, Dedi, Seeliger, Markus A., Tiwary, Pratyush |
| المصدر: | Journal of Chemical Theory & Computation; 7/23/2024, Vol. 20 Issue 14, p6341-6349, 9p |
| قاعدة البيانات: | Supplemental Index |
| تدمد: | 15499618 |
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| DOI: | 10.1021/acs.jctc.4c00503 |