Special Issue “Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery”

Huanxiang Liu

doi:10.3390/ijms27010264

Special Issue “Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery”

Huanxiang Liu

Faculty of Applied Sciences

研究成果: Editorial

摘要

Molecular dynamics (MD) simulations and related computational methodologies-such as binding free energy calculations and Markov state models-have become indispensable tools in modern drug discovery [...].

原文	English
文章編號	264
期刊	International Journal of Molecular Sciences
卷	27
發行號	1
DOIs	https://doi.org/10.3390/ijms27010264
出版狀態	Published - 1月 2026

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10.3390/ijms27010264

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Special Issue “Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery”

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