Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies.

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Title: Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies.
Authors: Simeon S; Interdisciplinary Graduate Program in Bioscience, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand.; Center for Advanced Studies in Nanotechnology for Chemical, Food and Agricultural Industries, KU Institute for Advanced Studies, Kasetsart University, Bangkok, 10900, Thailand., Jongkon N; Department of Social and Applied Science, College of Industrial Technology, King Mongkut's University of Technology North Bangkok, Bangkok, 10800, Thailand., Chotpatiwetchkul W; Department of Chemistry, Faculty of Science, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand., Gleeson MP; Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand. paul.gl@kmitl.ac.th.; Department of Biomedical Engineering, Faculty of Engineering, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand. paul.gl@kmitl.ac.th.
Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2019 Aug; Vol. 33 (8), pp. 745-757. Date of Electronic Publication: 2019 Sep 07.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE
Database: MEDLINE Ultimate
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Description
ISSN:1573-4951
DOI:10.1007/s10822-019-00221-z