小分子对NMDAR的识别:从虚拟筛选、密度泛函数理论、自由能景观和基于分子动力学模拟的发现的见解

IF 2 Q3 MATHEMATICAL & COMPUTATIONAL BIOLOGY

Network Modeling and Analysis in Health Informatics and Bioinformatics Pub Date : 2022-08-23 DOI:10.1007/s13721-022-00374-2

G. Sharma, R. Shukla, T. Singh

引用次数: 2

摘要

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Identification of small molecules against the NMDAR: an insight from virtual screening, density functional theory, free energy landscape and molecular dynamics simulation-based findings

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来源期刊

Network Modeling and Analysis in Health Informatics and Bioinformatics MATHEMATICAL & COMPUTATIONAL BIOLOGY-

CiteScore

5.40

自引率

4.30%

发文量

期刊介绍： NetMAHIB publishes original research articles and reviews reporting how graph theory, statistics, linear algebra and machine learning techniques can be effectively used for modelling and analysis in health informatics and bioinformatics. It aims at creating a synergy between these disciplines by providing a forum for disseminating the latest developments and research findings; hence, results can be shared with readers across institutions, governments, researchers, students, and the industry. The journal emphasizes fundamental contributions on new methodologies, discoveries and techniques that have general applicability and which form the basis for network based modelling, knowledge discovery, knowledge sharing and decision support to the benefit of patients, healthcare professionals and society in traditional and advanced emerging settings, including eHealth and mHealth .