On a method of nonlinear optimization for the comparison of spatial structure of molecules

DOI10.2298/YJOR1901015009CMaRDI QIDQ3388801zbMATH OpenOpenAlexFDO

Authors N. Yu. Chernikova, E. B. Laneev

Publication date 7 May 2021

Published in Yugoslav Journal of Operations Research (Search for Journal in Brave)

Full work available at URL https://doi.org/10.2298/yjor1901015009c

zbMATH Keywords

conformerEuler anglesoptimizationRosenbrock methodrotation matrix

Mathematics Subject Classification ID

Numerical methods based on nonlinear programming (49M37) Nonlinear programming (90C30)

Recommendations

• Comparing the spatial structure of molecules by minimizing a comparison function
• Solving Molecular Distance Geometry Problems Using a Continuous Optimization Approach
• scientific article; zbMATH DE number 1531958
• A molecular structure matching problem
• Relative arrangement of two molecules resulting in minimization of the weighted sum of the interatomic distances squared

Cites work

• A simple `finite approximations' proof of the Pontryagin maximum principle under reduced differentiability hypotheses
• scientific article; zbMATH DE number 1903882 (Why is no real title available?)
• scientific article; zbMATH DE number 2096252 (Why is no real title available?)
• scientific article; zbMATH DE number 3382096 (Why is no real title available?)
• Second-order conditions in extremal problems. The abnormal points

Cited in

(2)

• Comparing the spatial structure of molecules by minimizing a comparison function
• scientific article; zbMATH DE number 841192 (Why is no real title available?)

This page was built for publication: On a method of nonlinear optimization for the comparison of spatial structure of molecules

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3388801)