How to cite this WIREs title:
WIREs Comput Mol Sci
WIREs Comput Mol Sci
Impact Factor: 8.127
Available only through online subscription:
WIREs Computational Molecular Science
- An important new forum to promote cross-disciplinary research on the applications of theoretical chemistry and computer programming to chemical and biological problems
- An authoritative, encyclopedic resource addressing key topics from the perspectives of computational chemistry, biochemistry, materials science, chemical biology, systems biology, and biophysics
- Free or low cost access in developing countries through Research4Life
- Indexed by the Web of Science Group (formerly ISI), Chemical Abstracts Service, Scopus, ChemWeb, CAB Abstracts, and ProQuest
Latest Articles
Opinions
- Making machine learning a useful tool in the accelerated discovery of transition metal complexes
- Advances and challenges in deep generative models for de novo molecule generation
Overviews
- Computational predictions of two‐dimensional anode materials of metal‐ion batteries
- P2Y1‐like nucleotide receptors—Structures, molecular modeling, mutagenesis, and oligomerization
Advanced Reviews
- In silico toxicology: From structure–activity relationships towards deep learning and adverse outcome pathways
- Principal interacting orbital: A chemically intuitive method for deciphering bonding interaction
Focus Articles
- Multi‐coefficients correlation methods
- Quantitative structure–activity relationship methods in the discovery and development of antibacterials
Software Focus
- ChemML: A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data
- adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods
Editorial Commentaries
Featured Collection:
Top Ten WCMS Articles
Software update: the ORCA program system, version 4.0
Software Focus
Frank Neese
Metadynamics
Advanced Review
Alessandro Barducci,Massimiliano Bonomi,Michele Parrinello
The ORCA program system
Software Focus
Frank Neese
Finding the ΔΔG spot: Are predictors of binding affinity changes upon mutations in protein–protein interactions ready for it?
Advanced Review
Cunliang Geng,Li C. Xue,Jorge Roel‐Touris,Alexandre M. J. J. Bonvin
Access to this WIREs title is by subscription only.
Recommend to YourLibrarian Now!
The latest WIREs articles in your inbox
Sign Up for Article AlertsPropose a Review Article
The WIREs are generally invitation-only, but researchers are welcome to submit article proposals to the editors.
Instructions
|