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1988 1
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Page 1
Discovery of small molecule agonists of the Relaxin Family Peptide Receptor 2.
Esteban-Lopez M, Wilson KJ, Myhr C, Kaftanovskaya EM, Henderson MJ, Southall NT, Xu X, Wang A, Hu X, Barnaeva E, Ye W, George ER, Sherrill JT, Ferrer M, Morello R, Agoulnik IU, Marugan JJ, Agoulnik AI. Esteban-Lopez M, et al. Commun Biol. 2022 Nov 4;5(1):1183. doi: 10.1038/s42003-022-04143-9. Commun Biol. 2022. PMID: 36333465 Free PMC article.
Tensor hypercontraction. II. Least-squares renormalization.
Parrish RM, Hohenstein EG, Martínez TJ, Sherrill CD. Parrish RM, et al. J Chem Phys. 2012 Dec 14;137(22):224106. doi: 10.1063/1.4768233. J Chem Phys. 2012. PMID: 23248986
Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martinez, J. Chem. Phys. 137, 044103 (2012)]. ...
Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five s …
Population-level rhythms in human skin with implications for circadian medicine.
Wu G, Ruben MD, Schmidt RE, Francey LJ, Smith DF, Anafi RC, Hughey JJ, Tasseff R, Sherrill JD, Oblong JE, Mills KJ, Hogenesch JB. Wu G, et al. Proc Natl Acad Sci U S A. 2018 Nov 27;115(48):12313-12318. doi: 10.1073/pnas.1809442115. Epub 2018 Oct 30. Proc Natl Acad Sci U S A. 2018. PMID: 30377266 Free PMC article.
The epidermal layer shows rhythmic physiological responses to daily environmental variation (e.g., DNA repair). We investigated the role of the circadian clock in the transcriptional regulation of epidermis using a hybrid experimental design, in which a limited set of huma …
The epidermal layer shows rhythmic physiological responses to daily environmental variation (e.g., DNA repair). We investigated the r …
Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set.
Gráfová L, Pitoňák M, Řezáč J, Hobza P. Gráfová L, et al. J Chem Theory Comput. 2010 Aug 10;6(8):2365-76. doi: 10.1021/ct1002253. Epub 2010 Jul 1. J Chem Theory Comput. 2010. PMID: 26613492
The best performing WFT methods were found to be the SCS-CCSD (spin-component scaled CCSD, according to Takatani , T. ; Hohenstein , E. G. ; Sherrill , C. D. J. Chem. Phys. 2008 , 128 , 124111 ), MP2C (dispersion-corrected MP2, according to Hesselmann , A. ...Phys. …
The best performing WFT methods were found to be the SCS-CCSD (spin-component scaled CCSD, according to Takatani , T. ; Hohenstein , E …
Vibrational spectroscopy and theory of the protonated benzene dimer and trimer.
Bandyopadhyay B, Cheng TC, Wheeler SE, Duncan MA. Bandyopadhyay B, et al. J Phys Chem A. 2012 Jul 5;116(26):7065-73. doi: 10.1021/jp304091h. Epub 2012 Jun 21. J Phys Chem A. 2012. PMID: 22676649
H(C(6)H(6))(2)(+) is predicted to have three nearly isoenergetic conformers: the parallel displaced (PD), T-shaped (TS), and canted (C) structures [Jaeger, H. M.; Schaefer, H. F.; Hohenstein, E. G.; Sherrill, C. D. Comput. ...
H(C(6)H(6))(2)(+) is predicted to have three nearly isoenergetic conformers: the parallel displaced (PD), T-shaped (TS), and canted (C) stru …
A comparison of self-reported risk and protective factors and the death implicit association test in the prediction of future suicide attempts in adolescent emergency department patients.
Brent DA, Grupp-Phelan J, O'Shea BA, Patel SJ, Mahabee-Gittens EM, Rogers A, Duffy SJ, Shenoi RP, Chernick LS, Casper TC, Webb MW, Nock MK, King CA; for Pediatric Emergency Care Applied Research Network (PECARN). Brent DA, et al. Psychol Med. 2023 Jan;53(1):123-131. doi: 10.1017/S0033291721001215. Epub 2021 May 5. Psychol Med. 2023. PMID: 33947480 Free PMC article.
18 results