Major DT - Search Results

1

Copper coordination states affect the flexibility of copper Metallochaperone Atox1: Insights from molecular dynamics simulations.

Schwartz R, Ruthstein S, Major DT. Schwartz R, et al. Among authors: major dt. Protein Sci. 2022 Dec;31(12):e4464. doi: 10.1002/pro.4464. Protein Sci. 2022. PMID: 36208051 Free PMC article.

2

Cu(I) Controls Conformational States in Human Atox1 Metallochaperone: An EPR and Multiscale Simulation Study.

Perkal O, Qasem Z, Turgeman M, Schwartz R, Gevorkyan-Airapetov L, Pavlin M, Magistrato A, Major DT, Ruthstein S. Perkal O, et al. Among authors: major dt. J Phys Chem B. 2020 Jun 4;124(22):4399-4411. doi: 10.1021/acs.jpcb.0c01744. Epub 2020 May 22. J Phys Chem B. 2020. PMID: 32396355 Free PMC article.

3

Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro.

Zev S, Raz K, Schwartz R, Tarabeh R, Gupta PK, Major DT. Zev S, et al. Among authors: major dt. J Chem Inf Model. 2021 Jun 28;61(6):2957-2966. doi: 10.1021/acs.jcim.1c00263. Epub 2021 May 28. J Chem Inf Model. 2021. PMID: 34047191

4

Molecular Dynamics Simulations of the Apo and Holo States of the Copper Binding Protein CueR Reveal Principal Bending and Twisting Motions.

Schwartz R, Ruthstein S, Major DT. Schwartz R, et al. Among authors: major dt. J Phys Chem B. 2021 Aug 26;125(33):9417-9425. doi: 10.1021/acs.jpcb.1c02553. Epub 2021 Aug 12. J Phys Chem B. 2021. PMID: 34384216

5

Cooperative Intrinsic Basicity and Hydrogen Bonding Render SmI₂ More Azaphilic than Oxophilic.

Kolin G, Schwartz R, Shuster D, Major DT, Hoz S. Kolin G, et al. Among authors: major dt. ACS Omega. 2022 Oct 25;7(44):40021-40024. doi: 10.1021/acsomega.2c04680. eCollection 2022 Nov 8. ACS Omega. 2022. PMID: 36385862 Free PMC article.

6

Differential Substrate Sensing in Terpene Synthases from Plants and Microorganisms: Insight from Structural, Bioinformatic, and EnzyDock Analyses.

Schwartz R, Zev S, Major DT. Schwartz R, et al. Among authors: major dt. Angew Chem Int Ed Engl. 2024 May 21;63(21):e202400743. doi: 10.1002/anie.202400743. Epub 2024 Apr 18. Angew Chem Int Ed Engl. 2024. PMID: 38556463

7

Enzyme structure captures four cysteines aligned for disulfide relay.

Gat Y, Vardi-Kilshtain A, Grossman I, Major DT, Fass D. Gat Y, et al. Among authors: major dt. Protein Sci. 2014 Aug;23(8):1102-12. doi: 10.1002/pro.2496. Epub 2014 Jun 18. Protein Sci. 2014. PMID: 24888638 Free PMC article.

8

VWD domain stabilization by autocatalytic Asp-Pro cleavage.

Yeshaya N, Gupta PK, Dym O, Morgenstern D, Major DT, Fass D. Yeshaya N, et al. Among authors: major dt. Protein Sci. 2024 Mar;33(3):e4929. doi: 10.1002/pro.4929. Protein Sci. 2024. PMID: 38380729 Free PMC article.

9

Studies of Mg2+/Ca2+ complexes of naturally occurring dinucleotides: potentiometric titrations, NMR, and molecular dynamics.

Stern N, Major DT, Gottlieb HE, Weizman D, Sayer AH, Blum E, Fischer B. Stern N, et al. Among authors: major dt. J Biol Inorg Chem. 2012 Aug;17(6):861-79. doi: 10.1007/s00775-012-0903-2. Epub 2012 May 18. J Biol Inorg Chem. 2012. PMID: 22592972

10

How Accurate Are Transition States from Simulations of Enzymatic Reactions?

Doron D, Kohen A, Nam K, Major DT. Doron D, et al. Among authors: major dt. J Chem Theory Comput. 2014 May 13;10(5):1863-1871. doi: 10.1021/ct5000742. Epub 2014 Apr 23. J Chem Theory Comput. 2014. PMID: 24860275 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

106 results

Search Page