Machine learning in drug discovery: a review

S Dara, S Dhamercherla, SS Jadav, CHM Babu… - Artificial intelligence …, 2022 - Springer
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 …

[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 …

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 …

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 …

Columba: an integrated database of proteins, structures, and annotations

S Trißl, K Rother, H Müller, T Steinke, I Koch… - BMC …, 2005 - Springer
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 …

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 …

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 …

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 …

The evolution of structural databases

O Carugo, S Pongor - TRENDS in Biotechnology, 2002 - cell.com
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 …

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 …