Academic Journal
Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters
| العنوان: | Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters |
|---|---|
| المؤلفون: | Wagle, Swapnil, Merz, Pascal T., Ge, Yunhui, Bayly, Christopher I., Mobley, David L. |
| المساهمون: | National Institutes of Health, OpenEye Scientific, Cadence Molecular Sciences |
| المصدر: | Journal of Chemical Theory and Computation ; volume 20, issue 24, page 11013-11031 ; ISSN 1549-9618 1549-9626 |
| بيانات النشر: | American Chemical Society (ACS) |
| سنة النشر: | 2024 |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| DOI: | 10.1021/acs.jctc.4c01145 |
| الاتاحة: | https://doi.org/10.1021/acs.jctc.4c01145 https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c01145 |
| Rights: | https://creativecommons.org/licenses/by-nc-nd/4.0/ |
| رقم الانضمام: | edsbas.5C481448 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1021/acs.jctc.4c01145 |
|---|