Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Author:
Affiliation:
1. Department of Chemistry, Bioinformatics Research Center, North Carolina State University, 322 Ricks Hall, 1 Lampe Drive, Raleigh, North Carolina 27695, United States
Funder
North Carolina State University
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00048
Reference41 articles.
1. Targeting cancer with small molecule kinase inhibitors
2. Targeting cancer with kinase inhibitors
3. Small-molecule kinase inhibitors: an analysis of FDA-approved drugs
4. Compound promiscuity: what can we learn from current data?
5. Matched Molecular Pairs as a Medicinal Chemistry Tool
Cited by 71 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations and molecular dynamics studies;Frontiers in Chemistry;2024-01-22
2. Potential Safety Concerns of Volatile Constituents Released from Coffee-ground-blended Single-use Biodegradable Drinking Straws: A Chemical Space Perspective;Journal of Hazardous Materials;2024-01
3. Machine learning in Alzheimer’s disease drug discovery and target identification;Ageing Research Reviews;2024-01
4. Identification of novel NLRP3 inhibitors: a comprehensive approach using 2D-QSAR, molecular docking, molecular dynamics simulation and drug-likeness evaluation;Chemical Papers;2023-11-08
5. In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics;Journal of Biomolecular Structure and Dynamics;2023-09-01
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