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We developed an efficient numerical algorithm to calculate the surface arcs by creating a uniform set of points on the circles of intersection between surface atoms. A hierarchical point density doubling scheme led to a logarithmic dependence of Central Processing Unit (CPU) time on the number of points used. This algorithm calculated area derivatives for a 1000\u2010atom protein in 1.5 s on an SGI INDIGO<jats:sup>2<\/jats:sup> which were within 2% of the analytic area derivatives calculated with the program ANAREA. This algorithm scales linearly with the number of atoms for large molecules and is easily parallelizable. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160810","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T08:40:29Z","timestamp":1104655229000},"page":"1038-1044","source":"Crossref","is-referenced-by-count":64,"title":["A rapid method for calculating derivatives of solvent accessible surface areas of molecules"],"prefix":"10.1002","volume":"16","author":[{"given":"S.","family":"Sridharan","sequence":"first","affiliation":[]},{"given":"Anthony","family":"Nicholls","sequence":"additional","affiliation":[]},{"given":"Kim A.","family":"Sharp","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":"10.1016\/0022-2836(71)90324-X"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1730361"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(76)90191-1"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1038\/319199a0"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100058a043"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340110407"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560010204"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560010311"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.77.4.1736"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0021889883010985"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(84)90231-6"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130102"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141103"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(78)90201-2"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540120712"},{"key":"e_1_2_1_17_2","first-page":"A174","volume":"61","author":"Sridharan S.","year":"1992","journal-title":"Biophys. 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