May 13, 2020 � A range of computational methods has been developed to predict the favorable locations of water molecules in a protein binding pocket. Most of�...
To overcome this difficulty, we have developed an empirical method, called HydraMap, to predict the favorable hydration sites in the binding pocket of a protein�...
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We developed an empirical method for predicting the favorable hydration sites in a protein binding pocket. This method, namely HydraMap, is suitable for high-�...
Missing: Scoring Formulation.
Sep 20, 2021 � We propose a method based on neural networks to accurately predict hydration sites in proteins. In our approach, high-quality data of protein structures are�...
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation. Categrey:Protein sequence analysis�...
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation � Comprehensive 3D‐RISM analysis of�...
Sep 14, 2020 � This review reports on recent advances of prediction of water structure and function in the context of ligand engineering.
An empirical method, called HydraMap, to predict the favorable hydration sites in the binding pocket of a protein molecule, and the desolvation energy�...
284 This specialized PMF can be applied to predict the potential hydration sites in protein structures with an accuracy of about 80%. Furthermore, wPMF can also�...
This method is based on a scoring function that is a linear combination of a side-chain energy score, interface propensity and residue conservation score.
Missing: Hydration Pocket Formulation.