[HTML][HTML] AlphaFold, allosteric, and orthosteric drug discovery: Ways forward
R Nussinov, M Zhang, Y Liu, H Jang - Drug discovery today, 2023 - Elsevier
Highlights•AlphaFold models have rigid protein structures.•Advanced deep algorithms fed
relevant data can accurately predict structures.•Algorithmic advances can harness …
relevant data can accurately predict structures.•Algorithmic advances can harness …
AlphaFold, artificial intelligence (AI), and allostery
R Nussinov, M Zhang, Y Liu, H Jang - The Journal of Physical …, 2022 - ACS Publications
AlphaFold has burst into our lives. A powerful algorithm that underscores the strength of
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …
What does AlphaFold mean for drug discovery?
A Mullard - Nature reviews drug discovery, 2021 - go.gale.com
What does AlphaFold mean for drug discovery? - Document - Gale Academic OneFile Use this
link to get back to this page. Copy Skip to Content Library Menu: Google Scholar Discovery …
link to get back to this page. Copy Skip to Content Library Menu: Google Scholar Discovery …
Could AlphaFold revolutionize chemical therapeutics?
AB Tong, JD Burch, D McKay, C Bustamante… - Nature structural & …, 2021 - nature.com
To the Editor—Seeing is believing: the recent development of AlphaFold 1, 2 allows protein-
structure prediction with vastly enhanced accuracy that eclipses that of all past methods and …
structure prediction with vastly enhanced accuracy that eclipses that of all past methods and …
The different ways through which specificity works in orthosteric and allosteric drugs
R Nussinov, CJ Tsai - Current pharmaceutical design, 2012 - ingentaconnect.com
Currently, there are two types of drugs on the market: orthosteric, which bind at the active
site; and allosteric, which bind elsewhere on the protein surface, and allosterically change …
site; and allosteric, which bind elsewhere on the protein surface, and allosterically change …
[HTML][HTML] How accurately can one predict drug binding modes using AlphaFold models?
Computational prediction of protein structure has been pursued intensely for decades,
motivated largely by the goal of using structural models for drug discovery. Recently …
motivated largely by the goal of using structural models for drug discovery. Recently …
Benchmarking AlphaFold‐enabled molecular docking predictions for antibiotic discovery
Efficient identification of drug mechanisms of action remains a challenge. Computational
docking approaches have been widely used to predict drug binding targets; yet, such …
docking approaches have been widely used to predict drug binding targets; yet, such …
AI-based protein structure prediction in drug discovery: impacts and challenges
M Schauperl, RA Denny - Journal of Chemical Information and …, 2022 - ACS Publications
Proteins are the molecular machinery of the human body, and their malfunctioning is often
responsible for diseases, making them crucial targets for drug discovery. The three …
responsible for diseases, making them crucial targets for drug discovery. The three …
AlphaFold2 protein structure prediction: Implications for drug discovery
N Borkakoti, JM Thornton - Current opinion in structural biology, 2023 - Elsevier
The drug discovery process involves designing compounds to selectively interact with their
targets. The majority of therapeutic targets for low molecular weight (small molecule) drugs …
targets. The majority of therapeutic targets for low molecular weight (small molecule) drugs …
[HTML][HTML] A unified view of “how allostery works”
CJ Tsai, R Nussinov - PLoS computational biology, 2014 - journals.plos.org
The question of how allostery works was posed almost 50 years ago. Since then it has been
the focus of much effort. This is for two reasons: first, the intellectual curiosity of basic science …
the focus of much effort. This is for two reasons: first, the intellectual curiosity of basic science …