Trends in kinase drug discovery: targets, indications and inhibitor design
The FDA approval of imatinib in 2001 was a breakthrough in molecularly targeted cancer
therapy and heralded the emergence of kinase inhibitors as a key drug class in the oncology …
therapy and heralded the emergence of kinase inhibitors as a key drug class in the oncology …
A critical overview of computational approaches employed for COVID-19 drug discovery
COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought
the most severe disruptions to societies and economies since the Great Depression …
the most severe disruptions to societies and economies since the Great Depression …
Spatial transcriptomics of dorsal root ganglia identifies molecular signatures of human nociceptors
Nociceptors are specialized sensory neurons that detect damaging or potentially damaging
stimuli and are found in the dorsal root ganglia (DRG) and trigeminal ganglia. These …
stimuli and are found in the dorsal root ganglia (DRG) and trigeminal ganglia. These …
Exploration of ultralarge compound collections for drug discovery
WA Warr, MC Nicklaus, CA Nicolaou… - Journal of Chemical …, 2022 - ACS Publications
Designing new medicines more cheaply and quickly is tightly linked to the quest of exploring
chemical space more widely and efficiently. Chemical space is monumentally large, but …
chemical space more widely and efficiently. Chemical space is monumentally large, but …
DrugCentral 2021 supports drug discovery and repositioning
DrugCentral is a public resource (http://drugcentral. org) that serves the scientific community
by providing up-to-date drug information, as described in previous papers. The current …
by providing up-to-date drug information, as described in previous papers. The current …
Pharos 2023: an integrated resource for the understudied human proteome
Abstract The Illuminating the Druggable Genome (IDG) project aims to improve our
understanding of understudied proteins and our ability to study them in the context of …
understanding of understudied proteins and our ability to study them in the context of …
Cytoscape stringApp 2.0: analysis and visualization of heterogeneous biological networks
Biological networks are often used to represent complex biological systems, which can
contain several types of entities. Analysis and visualization of such networks is supported by …
contain several types of entities. Analysis and visualization of such networks is supported by …
AlphaFold illuminates half of the dark human proteins
We investigate the use of confidence scores to evaluate the accuracy of a given AlphaFold
(AF2) protein model for drug discovery. Prediction of accuracy is improved by not …
(AF2) protein model for drug discovery. Prediction of accuracy is improved by not …
[HTML][HTML] Artificial intelligence in pharmaceutical sciences
Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …
impacts the pharmaceutical market. However, investments in a new drug often go …
Label-free profiling of up to 200 single-cell proteomes per day using a dual-column nanoflow liquid chromatography platform
Single-cell proteomics (SCP) has great potential to advance biomedical research and
personalized medicine. The sensitivity of such measurements increases with low-flow …
personalized medicine. The sensitivity of such measurements increases with low-flow …