טוען...
Implicit ligand theory for relative binding free energies: II. An estimator based on control variates
Implicit ligand theory describes the relationship between the noncovalent binding free energy and the binding free energy between a ligand and multiple rigid receptor conformations. We have previously shown that if the receptor conformations are sampled from or reweighed to a holo ensemble, the bind...
שמור ב:
| הוצא לאור ב: | J Phys Commun |
|---|---|
| Main Authors: | , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2020
|
| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8018686/ https://ncbi.nlm.nih.gov/pubmed/33817346 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/2399-6528/abcbac |
| תגים: |
הוספת תג
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|