{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T12:18:17Z","timestamp":1767961097927,"version":"3.49.0"},"reference-count":38,"publisher":"Oxford University Press (OUP)","issue":"9","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2007,5,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Motivation: The accurate placement of side chains in computational protein modeling and design involves the searching of vast numbers of rotamer combinations.<\/jats:p><jats:p>Results: We have applied the information contained within structurally aligned homologous families, in the form of conserved \u03c7 angle conservation rules, to the problem of the comparative modeling. This allows the accurate borrowing of entire side-chain conformations and\/or the restriction to high probability rotamer bins. The application of these rules consistently reduces the number of rotamer combinations that need to be searched to trivial values and also reduces the overall side-chain root mean square deviation (rmsd) of the final model. The approach is complementary to current side-chain placement algorithms that use the decomposition of interacting clusters to increase the speed of the placement process.<\/jats:p><jats:p>Contact: \u00a0res50@mole.bio.cam.ac.uk<\/jats:p><jats:p>Supplementary information: Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/btm073","type":"journal-article","created":{"date-parts":[[2007,3,7]],"date-time":"2007-03-07T03:01:32Z","timestamp":1173236492000},"page":"1099-1105","source":"Crossref","is-referenced-by-count":43,"title":["Andante: reducing side-chain rotamer search space during comparative modeling using environment-specific substitution probabilities"],"prefix":"10.1093","volume":"23","author":[{"given":"Richard E.","family":"Smith","sequence":"first","affiliation":[{"name":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Simon C.","family":"Lovell","sequence":"additional","affiliation":[{"name":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David F.","family":"Burke","sequence":"additional","affiliation":[{"name":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rinaldo W.","family":"Montalvao","sequence":"additional","affiliation":[{"name":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tom L.","family":"Blundell","sequence":"additional","affiliation":[{"name":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2007,3,6]]},"reference":[{"key":"2023041209113535700_","doi-asserted-by":"crossref","first-page":"1268","DOI":"10.1006\/jmbi.1997.0926","article-title":"Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling tool","volume":"267","author":"Bower","year":"1997","journal-title":"J. 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