scoringfunction相关论文
Development of a Deep Learning Model for Binding Affinity Prediction and Fragment-based de novo Drug
The traditional drug design and discovery methods were time-consuming and expensive,which largely reduced the efficiency......
Scoring function is a popular computational method for predicting the protein-ligand binding affinity.It has been widely......
Background: The research on protein folding is the frontier of life science and fold classification is the foundation of......
Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes:predic
As one of the most popular computational approaches in modern structure-based drug design,molecular docking can be used ......
In structure-based drug design,scoring functions are widely used for fast evaluation of protein-ligand interactions....
Deciphering the structural determinants of protein-protein interactions(PPIs)is essential to gain a deep understanding o......
The accuracy of protein-drug binding energy calculation could be improved by the introduction of high level quantum chem......
...
A hybrid docking strategy to incorporate interface information for blind predictions of protein-prot
New demands and expectations for predicting protein-protein interactions have been emerging with the development of ......
Biological macromolecular interactions form the basis of many essential processes in cellular activities.Molecular m......
