WIREs Comput Mol Sci
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
Overviews
- Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging
- Range‐separated multiconfigurational density functional theory methods
Advanced Reviews
- The CL&Pol polarizable force field for the simulation of ionic liquids and eutectic solvents
- RNA–ligand molecular docking: Advances and challenges
Focus Articles
- The role of metal ions in G protein‐coupled receptor signalling and drug discovery
- Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins
Software Focus
- WebMO: Web‐based computational chemistry calculations in education and research
- The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling
Editorial Commentaries
Featured Collection:
Top Ten WCMS Articles
Software update: the ORCA program system, version 4.0
Software Focus
Frank Neese
Quantum‐mechanical condensed matter simulations with CRYSTAL
Software Focus
Roberto Dovesi,Alessandro Erba,Roberto Orlando,Claudio M. Zicovich‐Wilson,Bartolomeo Civalleri,Lorenzo Maschio,Michel Rérat,Silvia Casassa,Jacopo Baima,Simone Salustro,Bernard Kirtman
PySCF: the Python‐based simulations of chemistry framework
Software Focus
Qiming Sun,Timothy C. Berkelbach,Nick S. Blunt,George H. Booth,Sheng Guo,Zhendong Li,Junzi Liu,James D. McClain,Elvira R. Sayfutyarova,Sandeep Sharma,Sebastian Wouters,Garnet Kin‐Lic Chan
Energy decomposition analysis
Advanced Review
Gernot Frenking,Diego M. Andrada,Moritz von Hopffgarten,Lili Zhao