Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.

View all journals
Search
Log in

nature
search

Search

Advanced search

Filter By:

Journal Check one or more journals to show results from those journals only.

Communications Biology (1)
Nature Machine Intelligence (1)

Choose more journals

Article type Check one or more article types to show results from those article types only.

Research (2)

Subject Check one or more subjects to show results from those subjects only.

Computational biology and bioinformatics
Drug discovery
Mathematics and computing
Molecular medicine

Date Choose a date option to show results from those dates only.

Today
Last 7 days
Last 30 days
Last 12 months
Last 2 years
Last 5 years

Custom date range

Clear all filters

Sort by:

Relevance

Date published (new to old)

Date published (old to new)

Showing 1–2 of 2 results

Advanced filters: Author: Elif Çevrim Clear advanced filters

Target-specific de novo design of drug candidate molecules with graph-transformer-based generative adversarial networks

Inhibiting AKT1 kinase can have potentially positive uses against many types of cancer. To find novel molecules targeting this protein, a graph adversarial network is trained as a generative model.

Atabey Ünlü
Elif Çevrim
Tunca Doğan
Research15 Sept 2025
Nature Machine Intelligence

Volume: 7, P: 1524-1540
AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses

AI-driven discovery of the antiretroviral drugs bictegravir and etravirine as potent inhibitors against monkeypox and related poxviruses infection. The effects were experimentally validated in human organoids infected with poxviruses.

Yining Wang
Atabey Ünlü
Qiuwei Pan
ResearchOpen Access02 Dec 2025
Communications Biology

Volume: 8, P: 1-16

Search

Search articles by subject, keyword or author

Show results from

Advanced search

Quick links

Explore articles by subject
Find a job
Guide to authors
Editorial policies

Nature.com

nature.com sitemap

About Nature Portfolio

About us
Press releases
Press office
Contact us

Discover content

Journals A-Z
Articles by subject
protocols.io
Nature Index

Publishing policies

Nature portfolio policies
Open access

Author & Researcher services

Reprints & permissions
Research data
Language editing
Scientific editing
Nature Masterclasses
Research Solutions

Libraries & institutions

Librarian service & tools
Librarian portal
Open research
Recommend to library

Advertising & partnerships

Advertising
Partnerships & Services
Media kits
Branded content

Professional development

Nature Awards
Nature Careers
Nature Conferences

Regional websites

Nature Africa
Nature China
Nature India
Nature Japan
Nature Middle East

Privacy Policy
Use of cookies
Legal notice
Accessibility statement
Terms & Conditions
Your US state privacy rights

Search

Filter By:

Target-specific de novo design of drug candidate molecules with graph-transformer-based generative adversarial networks

AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses

Search

Quick links