Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein

DOI10.1016/J.COMPBIOLCHEM.2005.09.005zbMATH Open1102.92025DBLPjournals/candc/NemotoFUKKK05OpenAlexW2066464436WikidataQ42039224 ScholiaQ42039224MaRDI QIDQ2500350

Kenji Kanazawa, Tadashi Nemoto, Masami Uebayasi, Kazuo Kitaura, Dmitri G. Fedorov, Y. Komeiji

Publication date: 23 August 2006

Published in: Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.compbiolchem.2005.09.005

zbMATH Keywords

BioinformaticsGAMESSFMOAb initio MOIntermolecular interactionPheromone-binding protein

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Biophysics (92C05) Computational methods for problems pertaining to biology (92-08)

Cites Work

• PEACH 4 with ABINIT-MP: a general platform for classical and quantum simulations of biological molecules

Uses Software

• Title not available (Why is that?)
• PEACH
• ABINIT-MP

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