MOLTRA-II. New Three Dimensional Descriptors of the Hydrogen Bond

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S.V. Trepalin
A.V. Yarkov
O.A. Raevsky


The program MOLTRA-II, created on the basis of the CHEmical Databases management system CHED, is supplemented by the possibility of calculating new descriptors based on the three-dimensional structure and hydrogen bond parameters. The program calculates PSA descriptors (Polar Surface Area), OSA (Optimal Structure Area) and energy of the hydrogen bond.

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How to Cite
Trepalin, S., Yarkov, A., & Raevsky, O. (2018). MOLTRA-II. New Three Dimensional Descriptors of the Hydrogen Bond. Biomedical Chemistry: Research and Methods, 1(3), e00069.


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