May 3, 2021 · The water positions predicted by this method, called GalaxyWater-wKGB, could recover a similar or larger fraction of crystallographic water ...
May 24, 2021 · Here, we present a novel method for predicting water positions on a protein surface called GalaxyWater-wKGB, which is based on a statistical ...
To perform such hybrid methods, the positions of water molecules that have specific interactions with protein molecules must be predicted.
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The statistical potential describes specific protein atom-water interactions more accurately than conventional potentials by considering the dependence on the ...
GalaxyWater-wKGB is a webserver for prediction of water positions on protein structure using wKGB statistical potential.
GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein-protein interfaces, and protein-compound binding sites using ...
Jul 11, 2022 · GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein-protein interfaces, and protein-compound ...
Missing: wKGB: wKGB Potential.
May 24, 2021 · Proteins fold and function in water, and protein–water interactions play important roles in protein structure and function.
GalaxyWater-convolutional neural network (CNN) predicts water positions on protein chains, protein-protein interfaces, and protein-compound binding sites using ...
... GalaxyWater-wKGB: Prediction of Water Positions on. Protein Structure Using wKGB Statistical Potential. Journal of Chemical Information and. Modeling 2021, 61 ...