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020 ▼a 9780438168015
035 ▼a (MiAaPQ)AAI10812306
035 ▼a (MiAaPQ)ucsd:17377
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 248032
0820 ▼a 542
1001 ▼a Mermelstein, Daniel Janson.
24510 ▼a Improvements and Applications of Alchemical Free Energy, Constant pH and Accelerated Molecular Dynamics Calculations in the AMBER Molecular Dynamics Suite.
260 ▼a [S.l.] : ▼b University of California, San Diego., ▼c 2018
260 1 ▼a Ann Arbor : ▼b ProQuest Dissertations & Theses, ▼c 2018
300 ▼a 116 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
500 ▼a Advisers: James A. McCammon
5021 ▼a Thesis (Ph.D.)--University of California, San Diego, 2018.
520 ▼a The field of molecular dynamics is rapidly advancing as new theoretical techniques, software optimizations and computer architectures are unveiled seemingly daily. In this dissertation, I first review the best practices and recent developments i
590 ▼a School code: 0033.
650 4 ▼a Computational chemistry.
650 4 ▼a Chemistry.
690 ▼a 0219
690 ▼a 0485
71020 ▼a University of California, San Diego. ▼b Chemistry with a Specialization in Multi-Scale Biology.
7730 ▼t Dissertation Abstracts International ▼g 79-12B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0033
791 ▼a Ph.D.
792 ▼a 2018
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T14998019 ▼n KERIS
980 ▼a 201812 ▼f 2019
990 ▼a 관리자