Classical MD and metadynamics simulations on back-pocket binders of CDK2 and VEGFR2: a guidepost to design novel small-molecule dual inhibitors-Reference-Cited by-同舟云学术

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Classical MD and metadynamics simulations on back-pocket binders of CDK2 and VEGFR2: a guidepost to design novel small-molecule dual inhibitors

Published:2021-05-05 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Vásquez Andrés Felipe¹,González Barrios Andrés Fernando¹

Affiliation:

1. Grupo de Diseño de Productos y Procesos (GDPP), Department of Chemical Engineering, Universidad de los Andes, Bogotá, Colombia

Funder

Colombian Ministry of Science, Technology and Innovation – MINCIENCIAS

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1922311

Reference83 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Type II Inhibitors Targeting CDK2

3. Protein Kinases as Drug Targets in Cancer

4. Design Principles of Deep Pocket-Targeting Protein Kinase Inhibitors

5. Metadynamics

Cited by 1 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. Using Metadynamics To Explore the Free Energy of Dewetting in Biologically Relevant Nanopores;The Journal of Physical Chemistry B;2022-08-23

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