Collaborative filtering is a popular approach for building recommender systems. Current collaborative filtering algorithms are accurate but also computationally expensive, and so ...
The assessment of chemical similarity between molecules is a basic operation in chemoinformatics, a computational area concerning with the manipulation of chemical structural info...
—Much of the computational complexity in employing evolutionary algorithms as optimization tool is due to the fitness function evaluation that may either not exist or be computat...
Mohsen Davarynejad, Mohammad R. Akbarzadeh-Totonch...
— Replica exchange is a powerful sampling algorithm and can be effectively used for applications such as simulating the structure, function, folding, and dynamics of proteins and...
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...