Harvey J - Search Results

1

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.

Sabanés Zariquiey F, Jacoby E, Vos A, van Vlijmen HWT, Tresadern G, Harvey J. Sabanés Zariquiey F, et al. Among authors: harvey j. J Chem Inf Model. 2022 Feb 14;62(3):533-543. doi: 10.1021/acs.jcim.1c01164. Epub 2022 Jan 18. J Chem Inf Model. 2022. PMID: 35041430

2

First Principles Calculation of the Reaction Rates for Ligand Binding to Myoglobin: The Cases of NO and CO.

Lábas A, Menyhárd DK, Harvey JN, Oláh J. Lábas A, et al. Among authors: harvey jn. Chemistry. 2018 Apr 6;24(20):5350-5358. doi: 10.1002/chem.201704867. Epub 2018 Feb 6. Chemistry. 2018. PMID: 29285802

3

Adding value to crystallographically-derived knowledge bases.

Fey N, Harris SE, Harvey JN, Orpen AG. Fey N, et al. J Chem Inf Model. 2006 Mar-Apr;46(2):912-29. doi: 10.1021/ci0504768. J Chem Inf Model. 2006. PMID: 16563023

4

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

Glowacki DR, Orr-Ewing AJ, Harvey JN. Glowacki DR, et al. Among authors: harvey jn. J Chem Phys. 2015 Jul 28;143(4):044120. doi: 10.1063/1.4926996. J Chem Phys. 2015. PMID: 26233120

5

The Study of Reactive Intermediates in Condensed Phases.

Carpenter BK, Harvey JN, Orr-Ewing AJ. Carpenter BK, et al. Among authors: harvey jn. J Am Chem Soc. 2016 Apr 13;138(14):4695-705. doi: 10.1021/jacs.6b01761. Epub 2016 Apr 1. J Am Chem Soc. 2016. PMID: 27007182 Free article.

6

Halogenated building blocks for 2D crystal engineering on solid surfaces: lessons from hydrogen bonding.

Mukherjee A, Sanz-Matias A, Velpula G, Waghray D, Ivasenko O, Bilbao N, Harvey JN, Mali KS, De Feyter S. Mukherjee A, et al. Chem Sci. 2019 Mar 6;10(13):3881-3891. doi: 10.1039/c8sc04499f. eCollection 2019 Apr 7. Chem Sci. 2019. PMID: 31015930 Free PMC article.

7

Chemical Mimics of Aspartate-Directed Proteases: Predictive and Strictly Specific Hydrolysis of a Globular Protein at Asp-X Sequence Promoted by Polyoxometalate Complexes Rationalized by a Combined Experimental and Theoretical Approach.

Ly HGT, Mihaylov TT, Proost P, Pierloot K, Harvey JN, Parac-Vogt TN. Ly HGT, et al. Chemistry. 2019 Nov 13;25(63):14370-14381. doi: 10.1002/chem.201902675. Epub 2019 Oct 15. Chemistry. 2019. PMID: 31469197

8

Ruthenium-catalyzed cascade C-H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight.

Song L, Zhang X, Tang X, Van Meervelt L, Van der Eycken J, Harvey JN, Van der Eycken EV. Song L, et al. Among authors: harvey jn. Chem Sci. 2020 Sep 28;11(42):11562-11569. doi: 10.1039/d0sc04434b. Chem Sci. 2020. PMID: 34094402 Free PMC article.

9

Stability profile of vimentin rod domain.

Lilina AV, Leekens S, Hashim HM, Vermeire PJ, Harvey JN, Strelkov SV. Lilina AV, et al. Protein Sci. 2022 Dec;31(12):e4505. doi: 10.1002/pro.4505. Protein Sci. 2022. PMID: 36369679 Free PMC article.

10

On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface.

Rinkovec T, Kalebic D, Dehaen W, Whitelam S, Harvey JN, De Feyter S. Rinkovec T, et al. Chem Sci. 2024 Mar 14;15(16):6076-6087. doi: 10.1039/d4sc00284a. eCollection 2024 Apr 24. Chem Sci. 2024. PMID: 38665531 Free PMC article.

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