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Predicting side-chain dihedral angles of protein cores and beyond: An exploration of the limits of the hard-sphere model
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| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | Predicting side-chain dihedral angles of protein cores and beyond: An exploration of the limits of the hard-sphere model. |
| 개인저자 | Virrueta, Alejandro. |
| 단체저자명 | Yale University. |
| 발행사항 | [S.l.]: Yale University., 2018. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2018. |
| 형태사항 | 130 p. |
| 기본자료 저록 | Dissertation Abstracts International 79-12B(E). Dissertation Abstract International |
| ISBN | 9780438269422 |
| 학위논문주기 | Thesis (Ph.D.)--Yale University, 2018. |
| 일반주기 |
Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
Adviser: Corey S. O'Hern. |
| 요약 | Existing computational approaches for protein structure modeling and prediction typically involve a multi-term potential energy function, more commonly referred to as a 'force field'. These force fields typically model various physical phenomena |
| 요약 | To address this problem, my dissertation examines the extent to which a simplified energy function that includes only stereochemical constraints and repulsive hard-sphere interactions can correctly predict side-chain dihedral angles of amino aci |
| 요약 | This dissertation presents three major computational studies. I first examine the hard-sphere predictions of single and multiple repacking of residues in protein cores, and demonstrate that steric interactions are the dominant force in specifyin |
| 요약 | This work contributes to the forefront of computational protein design by providing an alternate, simplified approach to protein modeling and an understanding of the limitations of the hard-sphere model. With this information, we can gain fundam |
| 일반주제명 | Biophysics. Computational physics. |
| 언어 | 영어 |
| 바로가기 | 
: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
