Daniel J J McKay
Overview
Explore the profile of Daniel J J McKay including associated specialties, affiliations and a list of published articles.
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6
Citations
44
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0
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Recent Articles
1.
Cyr P, Fader L, Burch J, Pike K, Sietsema D, Boily M, et al.
ACS Med Chem Lett
. 2024 Dec;
15(12):2201-2209.
PMID: 39691514
Using a high-throughput screening (HTS) approach, a new GTP-site binding pyridine-carboxylate series of cGAS inhibitors was discovered. The biochemical potency of this new pyridine carboxylate series was improved 166-fold from...
2.
Hoegenauer K, Kallen J, Jimenez-Nunez E, Strang R, Ertl P, Cooke N, et al.
J Med Chem
. 2019 Nov;
62(23):10816-10832.
PMID: 31729873
Retinoic acid receptor-related orphan receptor gamma-t (RORγt) is considered to be the master transcription factor for the development of Th17 cells that produce proinflammatory cytokines such as IL-17A. Overproportionate Th17...
3.
Pearlstein R, McKay D, Hornak V, Dickson C, Golosov A, Harrison T, et al.
Curr Top Med Chem
. 2017 Apr;
17(23):2642-2662.
PMID: 28413952
Cellular drug targets exist within networked function-generating systems whose constituent molecular species undergo dynamic interdependent non-equilibrium state transitions in response to specific perturbations (i.e.. inputs). Cellular phenotypic behaviors are manifested...
4.
Dickson C, Hornak V, Velez-Vega C, McKay D, Reilly J, Sandham D, et al.
J Med Chem
. 2016 May;
59(12):5780-9.
PMID: 27239696
Ligand binding to membrane proteins may be significantly influenced by the interaction of ligands with the membrane. In particular, the microscopic ligand concentration within the membrane surface solvation layer may...
5.
Velez-Vega C, McKay D, Kurtzman T, Aravamuthan V, Pearlstein R, Duca J
J Chem Theory Comput
. 2015 Nov;
11(11):5090-102.
PMID: 26574307
A statistical-mechanical framework for estimation of solvation entropies and enthalpies is proposed, which is based on the analysis of water as a mixture of correlated water oxygens and water hydrogens....
6.
Velez-Vega C, McKay D, Aravamuthan V, Pearlstein R, Duca J
J Chem Inf Model
. 2014 Nov;
54(12):3344-61.
PMID: 25405925
Proton translocation pathways of selected variants of the green fluorescent protein (GFP) and Pseudomonas fluorescens mannitol 2-dehydrogenase (PfM2DH) were investigated via an explicit solvent molecular dynamics-based analysis protocol that allows...