Mutant anaplastic lymphoma kinase inhibitor identification by integrated in silico approaches

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-02-17 DOI:10.1080/08927022.2024.2316828

Nadeem Ahmad, Salman Ali Khan, Madiha Sardar, Mamona Mushtaq, Ali Raza Siddiqui, Sajida Munsif, Mohammad Nur-e-Alam, Dmitry Nerukh, Zaheer Ul-Haq

引用次数: 0

Abstract

Non-small-cell lung cancer (NSCLC) is the primary form of lung cancer globally and remains a leading cause of mortality. Anaplastic lymphoma kinase (ALK) mutations, such as I1171N + L1198H, have be...

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通过综合硅学方法识别突变无细胞淋巴瘤激酶抑制剂

非小细胞肺癌（NSCLC）是全球肺癌的主要形式，也是导致死亡的主要原因。无性淋巴瘤激酶（ALK）突变，如I1171N + L1198H，已成为肺癌的主要病因。

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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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.