Can cyclic HIV protease inhibitors bind in a non-preferred form? An ab initio, DFT and MM-PB(GB)SA study-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Can cyclic HIV protease inhibitors bind in a non-preferred form? An ab initio, DFT and MM-PB(GB)SA study

Published:2012-11-13 Issue:3 Volume:19 Page:1125-1142
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Oehme Daniel P.,Brownlee Robert T. C.,Wilson David J. D.

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-012-1660-4.pdf

Reference65 articles.

1. Lam PYS, Ru Y et al (1996) Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2′ structure-activity relationship, and molecular recognition of cyclic ureas. J Med Chem 39:3514–3525

2. Cram DJ (1986) Preorganization—from solvents to spherands. Angew Chem Int Ed 25:1039–1057

3. Cram DJ (1988) The design of molecular hosts, guests and their complexes. Science 240:760–767

4. Jadhav PK, Woerner FJ et al (1998) Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and x-ray crystal structure studies. J Med Chem 41:1446–1455

5. Abbenante G, March DR, Bergman DA, Hunt PA, Garnham B, Dancer RJ, Martin JL, Fairlie DP (1995) Regioselective structural and functional mimicry of peptides. Design of hydrolytically-stable cyclic peptidomimetic inhibitors of HIV- 1 protease. J Am Chem Soc 117:10220–10226

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号京ICP备18003416号-3