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Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding
In this study several commonly used implicit solvent models are compared with respect to their accuracy of estimating solvation energies of small molecules and proteins, as well as desolvation penalty in protein-ligand binding. The test set consists of 19 small proteins, 104 small molecules, and 15...
সংরক্ষণ করুন:
| প্রকাশিত: | J Mol Graph Model |
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| প্রধান লেখক: | , , , |
| বিন্যাস: | Artigo |
| ভাষা: | Inglês |
| প্রকাশিত: |
2016
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| বিষয়গুলি: | |
| অনলাইন ব্যবহার করুন: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5313374/ https://ncbi.nlm.nih.gov/pubmed/28064081 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2016.12.011 |
| ট্যাগগুলো: |
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