SciELO5d
Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation
This study is committed to searching for inhibitors of deacetylase SIRT2 within the natural product database via computer-aided drug design techniques. A comprehensive computer-aided drug design ...
The Next Web5d
Will AI revolutionise drug development? Researchers say it depends on how it’s used
A high drug failure rate is more than just a pattern recognition problem. Here's how we can address some of the root causes.
FierceBiotech14d
Author Siddhartha Mukherjee, LinkedIn co-founder Reid Hoffman connect to launch AI drug design startup
The author of the seminal cancer biography The Emperor Of All Maladies and the co-founder of LinkedIn are looking to connect their skills to the development of new medicines by launching a new ...
C&EN19d
Computationally Efficient Polarizable MD Simulations: A Simple Water Model for the Classical Drude Oscillator Polarizable Force Field
University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States ...
ZME Science21d
AI Designs Computer Chips We Can’t Understand — But They Work Really Well
While this study focuses on RF and sub-terahertz frequencies, the principles of AI-driven design can extend to computer chips or even quantum computing. “There are pitfalls that still require ...
Yahoo Finance22d
AI-driven drug discovery aided by Greater Bay Area integration, Hong Kong-listed firm says
XtalPi Holdings, an artificial intelligence (AI) drug discovery firm based in the Greater Bay Area, is changing the biopharmaceutical industry by leveraging AI and robotics to transform traditional ...
PharmiWeb26d
Oxford Drug Design achieves further in vivo validation of novel approach against multiple tumours
United Kingdom, 15 th January 2025: Oxford Drug Design, the Oxford-based AI drug discovery company, has today announced additional in vivo validation for its first-in-class approach against cancer as ...
GitHub26d
drug-design
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real ...
C&EN28d
Drug Property Optimization: Design, Synthesis, and Characterization of Novel Pharmaceutical Salts and Cocrystal-Salt of Lumefantrine
Department of Pharmaceutical Science, University of São Paulo − USP, Av. Professor Lineu Prestes, 580 − Cidade Universitária São Paulo, São Paulo CEP 05508-000, Brazil Department of Industrial and ...