{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,10,9]],"date-time":"2023-10-09T06:12:13Z","timestamp":1696831933268},"reference-count":23,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3843,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1994,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>This article studies the representation of protein backbone conformations using a finite number of values for the backbone dihedral angles. We develop a combinatorial search algorithm that guarantees finding the global minima of functions over the configuration space of discrete protein conformations, and use this procedure to fit finite\u2010state models to the backbones of globular proteins. It is demonstrated that a finite\u2010state representation with a reasonably small number of states yields either a small root\u2010mean\u2010square error or a small dihedral angle deviation from the native structure, but not both at the same time. The problem can be resolved by introducing limited local optimization in each step of the combinatorial search. In addition, it is shown that acceptable approximation is achieved using a single dihedral angle as an independent variable in local optimization. Results for 11 proteins demonstrate the advantages and shortcomings of both the finite\u2010state and reduced\u2010parameter approximations of protein backbone conformations. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150305","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:01:11Z","timestamp":1104627671000},"page":"300-312","source":"Crossref","is-referenced-by-count":3,"title":["Finite\u2010state and reduced\u2010parameter representations of protein backbone conformations"],"prefix":"10.1002","volume":"15","author":[{"given":"Ljubomir J.","family":"Buturovi\u0107","sequence":"first","affiliation":[]},{"given":"Temple F.","family":"Smith","sequence":"additional","affiliation":[]},{"given":"Sandor","family":"Vajda","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pc.40.100189.001231"},{"key":"e_1_2_1_3_2","first-page":"7135","volume":"31","author":"Dill K. 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