Khan HM - Search Results

1

Standard Binding Free Energy and Membrane Desorption Mechanism for a Phospholipase C.

Moutoussamy EE, Khan HM, Roberts MF, Gershenson A, Chipot C, Reuter N. Moutoussamy EE, et al. Among authors: khan hm. J Chem Inf Model. 2022 Dec 26;62(24):6602-6613. doi: 10.1021/acs.jcim.1c01543. Epub 2022 Mar 28. J Chem Inf Model. 2022. PMID: 35343689 Free PMC article.

2

Search and Subvert: Minimalist Bacterial Phosphatidylinositol-Specific Phospholipase C Enzymes.

Roberts MF, Khan HM, Goldstein R, Reuter N, Gershenson A. Roberts MF, et al. Among authors: khan hm. Chem Rev. 2018 Sep 26;118(18):8435-8473. doi: 10.1021/acs.chemrev.8b00208. Epub 2018 Aug 27. Chem Rev. 2018. PMID: 30148347 Review.

3

Quantifying transient interactions between Bacillus phosphatidylinositol-specific phospholipase-C and phosphatidylcholine-rich vesicles.

Yang B, Pu M, Khan HM, Friedman L, Reuter N, Roberts MF, Gershenson A. Yang B, et al. Among authors: khan hm. J Am Chem Soc. 2015 Jan 14;137(1):14-7. doi: 10.1021/ja508631n. Epub 2014 Dec 23. J Am Chem Soc. 2015. PMID: 25517221 Free PMC article.

4

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding.

Khan HM, He T, Fuglebakk E, Grauffel C, Yang B, Roberts MF, Gershenson A, Reuter N. Khan HM, et al. Biophys J. 2016 Mar 29;110(6):1367-78. doi: 10.1016/j.bpj.2016.02.020. Biophys J. 2016. PMID: 27028646 Free PMC article.

5

Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field.

Khan HM, MacKerell AD Jr, Reuter N. Khan HM, et al. J Chem Theory Comput. 2019 Jan 8;15(1):7-12. doi: 10.1021/acs.jctc.8b00839. Epub 2018 Dec 28. J Chem Theory Comput. 2019. PMID: 30562013 Free PMC article.

6

Interfacial Aromatics Mediating Cation-π Interactions with Choline-Containing Lipids Can Contribute as Much to Peripheral Protein Affinity for Membranes as Aromatics Inserted below the Phosphates.

Waheed Q, Khan HM, He T, Roberts M, Gershenson A, Reuter N. Waheed Q, et al. Among authors: khan hm. J Phys Chem Lett. 2019 Jul 18;10(14):3972-3977. doi: 10.1021/acs.jpclett.9b01639. Epub 2019 Jul 3. J Phys Chem Lett. 2019. PMID: 31246477

7

Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage.

Moutoussamy EE, Waheed Q, Binford GJ, Khan HM, Moran SM, Eitel AR, Cordes MHJ, Reuter N. Moutoussamy EE, et al. Among authors: khan hm. PLoS Comput Biol. 2022 Feb 18;18(2):e1009871. doi: 10.1371/journal.pcbi.1009871. eCollection 2022 Feb. PLoS Comput Biol. 2022. PMID: 35180220 Free PMC article.

8

Phospholipids in Motion: High-Resolution ³¹P NMR Field Cycling Studies.

Roberts MF, Cai J, V Natarajan S, Khan HM, Reuter N, Gershenson A, Redfield AG. Roberts MF, et al. Among authors: khan hm. J Phys Chem B. 2021 Aug 12;125(31):8827-8838. doi: 10.1021/acs.jpcb.1c02105. Epub 2021 Jul 29. J Phys Chem B. 2021. PMID: 34320805

9

Membrane Docking of the Synaptotagmin 7 C2A Domain: Computation Reveals Interplay between Electrostatic and Hydrophobic Contributions.

Chon NL, Osterberg JR, Henderson J, Khan HM, Reuter N, Knight JD, Lin H. Chon NL, et al. Among authors: khan hm. Biochemistry. 2015 Sep 22;54(37):5696-711. doi: 10.1021/acs.biochem.5b00422. Epub 2015 Sep 10. Biochemistry. 2015. PMID: 26333120

10

Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)₄⁺ Interactions.

Khan HM, Grauffel C, Broer R, MacKerell AD Jr, Havenith RW, Reuter N. Khan HM, et al. J Chem Theory Comput. 2016 Nov 8;12(11):5585-5595. doi: 10.1021/acs.jctc.6b00654. Epub 2016 Oct 13. J Chem Theory Comput. 2016. PMID: 27682345 Free PMC article.

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