Advanced search
Publication Cover
SAR and QSAR in Environmental Research Volume 32, 2021 - Issue 11
Submit an article Journal homepage
300
Views
4
CrossRef citations to date
0
Altmetric
Research Article

Decoding molecular mechanism underlying binding of drugs to HIV-1 protease with molecular dynamics simulations and MM-GBSA calculations

Y.X. Yua School of Science, Shandong Jiaotong University, Jinan, ChinaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-4331-5355View further author information
ORCID Icon,
W.T. Liub Shuifa Qilu Cultural Tourism Development Co., Ltd, Shuifa Ecological Industry Group, Jinan, ChinaView further author information
,
H.Y. Lia School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
,
W. Wanga School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
,
H.B. Suna School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
,
L.L. Zhanga School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
&
S.L. Wua School of Science, Shandong Jiaotong University, Jinan, ChinaView further author information
 show all
Pages 889-915 | Received 21 Jul 2021, Accepted 08 Sep 2021, Published online: 23 Sep 2021

Citations (4)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (2)

H.Y. Bao, W. Wang, H.B. Sun & J.Z. Chen. (2023) Binding modes of GDP, GTP and GNP to NRAS deciphered by using Gaussian accelerated molecular dynamics simulations. SAR and QSAR in Environmental Research 34:1, pages 65-89.
Read now
Y.X. Yu, W. Wang, H.B. Sun, L.L. Zhang, L.F. Wang & Y.Y. Yin. (2022) Decoding drug resistant mechanism of V32I, I50V and I84V mutations of HIV-1 protease on amprenavir binding by using molecular dynamics simulations and MM-GBSA calculations. SAR and QSAR in Environmental Research 33:10, pages 805-831.
Read now

Articles from other publishers (2)

Sankaran Venkatachalam, Nisha Murlidharan, Sowmya R. Krishnan, C. Ramakrishnan, Mpho Setshedi, Ramesh Pandian, Debmalya Barh, Sandeep Tiwari, Vasco Azevedo, Yasien Sayed & M. Michael Gromiha. (2023) Understanding Drug Resistance of Wild-Type and L38HL Insertion Mutant of HIV-1 C Protease to Saquinavir. Genes 14:2, pages 533.
Crossref
Jianan Sun, Mark Anthony V. Raymundo & Chia-En A. Chang. (2022) Ritonavir and xk263 Binding-Unbinding with HIV-1 Protease: Pathways, Energy and Comparison. Life 12:1, pages 116.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.