Machine learning in drug discovery: a review
This review provides the feasible literature on drug discovery through ML tools and
techniques that are enforced in every phase of drug development to accelerate the research …
techniques that are enforced in every phase of drug development to accelerate the research …
[HTML][HTML] Data integration and genomic medicine
B Louie, P Mork, F Martin-Sanchez, A Halevy… - Journal of biomedical …, 2007 - Elsevier
Genomic medicine aims to revolutionize health care by applying our growing understanding
of the molecular basis of disease. Research in this arena is data intensive, which means …
of the molecular basis of disease. Research in this arena is data intensive, which means …
TOUCHSTONE: An ab initio protein structure prediction method that uses threading-based tertiary restraints
D Kihara, H Lu, A Kolinski… - Proceedings of the …, 2001 - National Acad Sciences
The successful prediction of protein structure from amino acid sequence requires two
features: an efficient conformational search algorithm and an energy function with a global …
features: an efficient conformational search algorithm and an energy function with a global …
On the universe of protein folds
R Kolodny, L Pereyaslavets… - Annual review of …, 2013 - annualreviews.org
In the fifty years since the first atomic structure of a protein was revealed, tens of thousands
of additional structures have been solved. Like all objects in biology, proteins structures …
of additional structures have been solved. Like all objects in biology, proteins structures …
Columba: an integrated database of proteins, structures, and annotations
Background Structural and functional research often requires the computation of sets of
protein structures based on certain properties of the proteins, such as sequence features …
protein structures based on certain properties of the proteins, such as sequence features …
Microbial genomes have over 72% structure assignment by the threading algorithm PROSPECTOR_Q
D Kihara, J Skolnick - Proteins: Structure, Function, and …, 2004 - Wiley Online Library
The genome scale threading of five complete microbial genomes is revisited using our state‐
of‐the‐art threading algorithm, PROSPECTOR_Q. Considering that structure assignment to …
of‐the‐art threading algorithm, PROSPECTOR_Q. Considering that structure assignment to …
Exploring the future of biopharmaceutical drug discovery: can advanced AI platforms overcome current challenges?
A Bettanti, AR Beccari, M Biccarino - Discover Artificial Intelligence, 2024 - Springer
Artificial intelligence (AI)-based drug discovery has not yet completely addressed the
numerous and varied challenges posed by the inherent complexities and demands of …
numerous and varied challenges posed by the inherent complexities and demands of …
Biomedical data integration in computational drug design and bioinformatics
JA Seoane, V Aguiar-Pulido… - … computer-aided drug …, 2013 - ingentaconnect.com
In recent years, in the post genomic era, more and more data is being generated by
biological high throughput technologies, such as proteomics and transcriptomics. This omics …
biological high throughput technologies, such as proteomics and transcriptomics. This omics …
The evolution of structural databases
Abstract Starting with the Protein Data Bank (PDB) as a common ancestor, the evolution of
structural databases has been driven by the rapprochement of the structural world and the …
structural databases has been driven by the rapprochement of the structural world and the …
JXP4BIGI: a generalized, Java XML-based approach for biological information gathering and integration
Y Huang, T Ni, L Zhou, S Su - Bioinformatics, 2003 - academic.oup.com
Motivation: In the post-genomic era, biologists interested in systems biology often need to
import data from public databases and construct their own system-specific or subject …
import data from public databases and construct their own system-specific or subject …