From shape similarity to shape complementarity: Toward a docking theory

DOI10.1023/B:JOMC.0000033252.59423.6BMaRDI QIDQ1878853zbMATH OpenOpenAlexFDO

Authors Michel Petitjean

Publication date 9 September 2004

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1023/b:jomc.0000033252.59423.6b

zbMATH Keywords

Wasserstein distancesimilaritydockingcolored mixtureshape complementarity coefficient

Mathematics Subject Classification ID

Inequalities; stochastic orderings (60E15) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Inequalities and extremum problems in real or complex geometry (51M16)

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Cited in

(5)

• About the algebraic solutions of smallest enclosing cylinders problems
• About the optimal density associated to the chiral index of a sample from a bivariate distribution
• Chirality in metric spaces.
• Combinatorial Pattern Matching
• Molecular shape analysis based upon the Morse-Smale complex and the Connolly function

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