{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,3]],"date-time":"2025-09-03T10:58:42Z","timestamp":1756897122714},"reference-count":26,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3447,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The three\u2010dimensional structure of the carboxyl\u2010terminal region of the human ras oncogenic protein (called p21) has been determined using the HDMC (High\u2010directional Monte Carlo) method combined with MD (molecular dynamics) simulation. A truncated p21 containing residues 1\u2013171 without the carboxyl\u2010terminal end was analyzed using X\u2010ray crystallography by Kim et al. It has been well documented that the carboxyl\u2010terminal region of p21 is flexible and plays an important role in transmitting a signal from the membrane\u2010attached domain. We have carried out the theoretical calculation for 18 undefined residues, which correspond to residues 172\u2013189 of intact p21, in addition to seven residues (165\u2013171) from X\u2010ray coordinates of the C\u2010terminal end of human C\uf8ffHa\uf8ffras protein. In this calculation, the main\u2010chain atoms of residues 165\u2013169 have been fitted to X\u2010ray structure, and the remaining region has been allowed to move during the conformational analysis. We have confirmed that revised HDMC can easily alter the local minima of the polypeptide chains as the internal vibrations of molecules are allowed by MD simulation. Throughout this study, we suggest that the C\u2010terminal end of human C\uf8ffHa\uf8ffras p21 protein has structures in the forms of an \u03b1 helix for 165\u2013172, a loop for 173\u2013180, and an \u03b1 helix for 181\u2013187 regions, like the helical hairpin. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160411","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:41:51Z","timestamp":1104626511000},"page":"478-485","source":"Crossref","is-referenced-by-count":4,"title":["Determination of C\u2010terminal structure of human C\uf8ffHa\uf8ffras oncogenic protein"],"prefix":"10.1002","volume":"16","author":[{"given":"Jeong Hyeok","family":"Yoon","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jae Kwang","family":"Shin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mu Shik","family":"Jhon","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","first-page":"107","volume-title":"Advances in Viral Oncology: Cell\u2010derived Oncogenes","author":"Ellis R. 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