Patrick B Grinaway
Overview
Explore the profile of Patrick B Grinaway including associated specialties, affiliations and a list of published articles.
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Articles
4
Citations
359
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Recent Articles
1.
Ross G, Rustenburg A, Grinaway P, Fass J, Chodera J
J Phys Chem B
. 2018 Apr;
122(21):5466-5486.
PMID: 29649876
Biomolecular simulations are typically performed in an aqueous environment where the number of ions remains fixed for the duration of the simulation, generally with either a minimally neutralizing ion environment...
2.
Gill S, Lim N, Grinaway P, Rustenburg A, Fass J, Ross G, et al.
J Phys Chem B
. 2018 Mar;
122(21):5579-5598.
PMID: 29486559
Accurately predicting protein-ligand binding affinities and binding modes is a major goal in computational chemistry, but even the prediction of ligand binding modes in proteins poses major challenges. Here, we...
3.
Parton D, Grinaway P, Hanson S, Beauchamp K, Chodera J
PLoS Comput Biol
. 2016 Jun;
12(6):e1004728.
PMID: 27337644
The rapidly expanding body of available genomic and protein structural data provides a rich resource for understanding protein dynamics with biomolecular simulation. While computational infrastructure has grown rapidly, simulations on...
4.
Intlekofer A, Dematteo R, Venneti S, Finley L, Lu C, Judkins A, et al.
Cell Metab
. 2015 Jul;
22(2):304-11.
PMID: 26212717
Somatic mutations in isocitrate dehydrogenase 1 or 2 (IDH1/2) contribute to the pathogenesis of cancer via production of the "oncometabolite" D-2-hydroxyglutarate (D-2HG). Elevated D-2HG can block differentiation of malignant cells...