Efficient drug lead discovery and optimization.

616 citations recorded by the source corpus.

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

Computer-Aided Drug Design Methods (2017, methodology): “Database screening methods are often used for hit identification (59) while a number of methods may be used for hit optimization (4, 24, 60).”
Designing antimicrobial peptides: form follows function (2011, methodology): “Such computationally demanding exercises have been successfully applied to drug design and optimizatio”
Computational drug discovery (2012, background): “The efficiency, accuracy and speed of these computational methods largely depend on several technical aspects, including conformation generation and sampling, scoring functions, optimization algorithms, and molecular similarity calculations [7, 11, 15] .”
An estimated 5% of new protein structures solved today represent a new Pfam family (2013, background): “This information can give important insights into, for example, the effect of mutations such as those caused by some nonsynonymous single-nucleotide polymorphisms or can impact significantly on our ability to design new drugs (Jorgensen, 2009).”