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As an illustration of the method, we have calculated the two\u2010dimensional potential of mean force surface of the dihedrals gamma and chi in deoxyadenosine with Monte Carlo simulations using the all\u2010atom and united\u2010atom representation of the AMBER force fields. This also demonstrates one of the major advantages of WHAM over umbrella sampling techniques. The method also provides an analysis of the statistical accuracy of the potential of mean force as well as a guide to the most efficient use of additional simulations to minimize errors. \u00a9 1995 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540161104","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:07:15Z","timestamp":1104628035000},"page":"1339-1350","source":"Crossref","is-referenced-by-count":775,"title":["Multidimensional free\u2010energy calculations using the weighted histogram analysis method"],"prefix":"10.1002","volume":"16","author":[{"given":"Shankar","family":"Kumar","sequence":"first","affiliation":[]},{"given":"John M.","family":"Rosenberg","sequence":"additional","affiliation":[]},{"given":"Djamal","family":"Bouzida","sequence":"additional","affiliation":[]},{"given":"Robert H.","family":"Swendsen","sequence":"additional","affiliation":[]},{"given":"Peter A.","family":"Kollman","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":"10.1002\/jcc.540130812"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1678245"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.431685"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9781139167864"},{"key":"e_1_2_1_6_2","doi-asserted-by":"crossref","DOI":"10.1002\/9780470141205","volume-title":"Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics, Advances in Chemical Physics","author":"Brooks C. 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