Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design
نویسندگان
چکیده
منابع مشابه
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design
Urea derivatives are ubiquitously found in many chemical disciplines. N,N'-substituted ureas may show different conformational preferences depending on their substitution pattern. The high energetic barrier for isomerization of the cis and trans state poses additional challenges on computational simulation techniques aiming at a reproduction of the biological properties of urea derivatives. Her...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2016
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-016-9913-4