Faster placement of hydrogens in protein structures by dynamic programming

DOI10.1145/1227161.1227167MaRDI QIDQ3507790zbMATH OpenOpenAlexWikidataFDO

Authors Andrew Leaver-Fay, Yuanxin Liu, Jack Snoeyink, Xuey Wang

Publication date 20 June 2008

Published in ACM Journal of Experimental Algorithmics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1145/1227161.1227167

Mathematics Subject Classification ID

Applications of graph theory (05C90) Combinatorial optimization (90C27) Dynamic programming (90C39) Applications of mathematical programming (90C90) Computational methods for problems pertaining to biology (92-08) Biophysics (92C05) Biochemistry, molecular biology (92C40)

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(3)

• Fast and accurate algorithms for protein side-chain packing
• Hypergraph Model of Multi-residue Interactions in Proteins: Sequentially–Constrained Partitioning Algorithms for Optimization of Site-Directed Protein Recombination
• Computing bond orders in molecule graphs

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