Ahmed M - Search Results

1

Structure-based screening and validation of potential dengue virus inhibitors through classical and QM/MM affinity estimation.

Ahmed M, Kumar A, Hobman TC, Barakat K. Ahmed M, et al. J Mol Graph Model. 2019 Jul;90:128-143. doi: 10.1016/j.jmgm.2019.04.010. Epub 2019 Apr 24. J Mol Graph Model. 2019. PMID: 31082639

2

Targeting the Achilles heel of the hepatitis B virus: a review of current treatments against covalently closed circular DNA.

Ahmed M, Wang F, Levin A, Le C, Eltayebi Y, Houghton M, Tyrrell L, Barakat K. Ahmed M, et al. Drug Discov Today. 2015 May;20(5):548-61. doi: 10.1016/j.drudis.2015.01.008. Epub 2015 Jan 24. Drug Discov Today. 2015. PMID: 25622780 Review.

3

Human PD-1 binds differently to its human ligands: a comprehensive modeling study.

Viricel C, Ahmed M, Barakat K. Viricel C, et al. Among authors: ahmed m. J Mol Graph Model. 2015 Apr;57:131-42. doi: 10.1016/j.jmgm.2015.01.015. Epub 2015 Feb 14. J Mol Graph Model. 2015. PMID: 25723350

4

Discovery of Novel Peptidomimetics as Irreversible CHIKV NsP2 Protease Inhibitors Using Quantum Mechanical-Based Ligand Descriptors.

El-labbad EM, Ismail MA, Abou Ei Ella DA, Ahmed M, Wang F, Barakat KH, Abouzid KA. El-labbad EM, et al. Among authors: ahmed m. Chem Biol Drug Des. 2015 Dec;86(6):1518-27. doi: 10.1111/cbdd.12621. Epub 2015 Aug 27. Chem Biol Drug Des. 2015. PMID: 26212366

5

Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods.

Kassem S, Ahmed M, El-Sheikh S, Barakat KH. Kassem S, et al. Among authors: ahmed m. J Mol Graph Model. 2015 Nov;62:105-117. doi: 10.1016/j.jmgm.2015.09.010. Epub 2015 Sep 15. J Mol Graph Model. 2015. PMID: 26407139 Review.

6

A Comprehensive Computational Analysis for the Binding Modes of Hepatitis C Virus NS5A Inhibitors: The Question of Symmetry.

Ahmed M, Pal A, Houghton M, Barakat K. Ahmed M, et al. ACS Infect Dis. 2016 Nov 11;2(11):872-881. doi: 10.1021/acsinfecdis.6b00113. Epub 2016 Aug 3. ACS Infect Dis. 2016. PMID: 27933783

7

Modeling the human Na_v1.5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade.

Ahmed M, Jalily Hasani H, Ganesan A, Houghton M, Barakat K. Ahmed M, et al. Drug Des Devel Ther. 2017 Aug 4;11:2301-2324. doi: 10.2147/DDDT.S133944. eCollection 2017. Drug Des Devel Ther. 2017. PMID: 28831242 Free PMC article.

8

The Too Many Faces of PD-L1: A Comprehensive Conformational Analysis Study.

Ahmed M, Barakat K. Ahmed M, et al. Biochemistry. 2017 Oct 10;56(40):5428-5439. doi: 10.1021/acs.biochem.7b00655. Epub 2017 Sep 25. Biochemistry. 2017. PMID: 28898057

9

A comprehensive structural model for the human KCNQ1/KCNE1 ion channel.

Jalily Hasani H, Ahmed M, Barakat K. Jalily Hasani H, et al. Among authors: ahmed m. J Mol Graph Model. 2017 Nov;78:26-47. doi: 10.1016/j.jmgm.2017.09.019. Epub 2017 Sep 29. J Mol Graph Model. 2017. PMID: 28992529

10

When theory meets experiment: the PD-1 challenge.

Ahmed M, Barakat K. Ahmed M, et al. J Mol Model. 2017 Oct 10;23(11):308. doi: 10.1007/s00894-017-3482-x. J Mol Model. 2017. PMID: 29019005

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