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Small ligand-globin interactions: reviewing lessons derived from computer simulation.
Biochim Biophys Acta. 2013 Sep;1834(9):1722-38. doi: 10.1016/j.bbapap.2013.02.038. Epub 2013 Mar 5.
Biochim Biophys Acta. 2013.
PMID: 23470499
Review.
Protein dynamics and ligand migration interplay as studied by computer simulation.
Arroyo-Mañez P, Bikiel DE, Boechi L, Capece L, Di Lella S, Estrin DA, Martí MA, Moreno DM, Nadra AD, Petruk AA.
Arroyo-Mañez P, et al.
Biochim Biophys Acta. 2011 Aug;1814(8):1054-64. doi: 10.1016/j.bbapap.2010.08.005. Epub 2010 Aug 23.
Biochim Biophys Acta. 2011.
PMID: 20797453
Review.
Item in Clipboard
Heme pocket structural properties of a bacterial truncated hemoglobin from Thermobifida fusca.
Droghetti E, Nicoletti FP, Bonamore A, Boechi L, Arroyo Mañez P, Estrin DA, Boffi A, Smulevich G, Feis A.
Droghetti E, et al. Among authors: arroyo manez p.
Biochemistry. 2010 Dec 14;49(49):10394-402. doi: 10.1021/bi101452k. Epub 2010 Nov 16.
Biochemistry. 2010.
PMID: 21049911
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Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from Campylobacter jejuni.
Arroyo Mañez P, Lu C, Boechi L, Martí MA, Shepherd M, Wilson JL, Poole RK, Luque FJ, Yeh SR, Estrin DA.
Arroyo Mañez P, et al.
Biochemistry. 2011 May 17;50(19):3946-56. doi: 10.1021/bi101137n. Epub 2011 Apr 25.
Biochemistry. 2011.
PMID: 21476539
Free PMC article.
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Combined experimental and computational investigation of the absorption spectra of E- and Z-cinnamic acids in solution: The peculiarity of Z-cinnamics.
Salum ML, Arroyo Mañez P, Luque FJ, Erra-Balsells R.
Salum ML, et al. Among authors: arroyo manez p.
J Photochem Photobiol B. 2015 Jul;148:128-135. doi: 10.1016/j.jphotobiol.2015.03.032. Epub 2015 Apr 13.
J Photochem Photobiol B. 2015.
PMID: 25911983
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An experimental and computational study on the dissociation behavior of hydroxypyridine N-oxides in atmospheric pressure ionization mass spectrometry.
Butler M, Arroyo Mañez P, Cabrera GM.
Butler M, et al. Among authors: arroyo manez p.
J Mass Spectrom. 2010 May;45(5):536-44. doi: 10.1002/jms.1739.
J Mass Spectrom. 2010.
PMID: 20446312
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Putting the Puzzle Together To Get the Whole Picture: Molecular Basis of the Affinity of Two Steroid Derivatives to Acetylcholinesterase.
Richmond V, Falcone BN, Maier MS, Arroyo Máñez P.
Richmond V, et al. Among authors: arroyo manez p.
ACS Omega. 2023 Jul 6;8(28):25610-25622. doi: 10.1021/acsomega.3c03749. eCollection 2023 Jul 18.
ACS Omega. 2023.
PMID: 37483177
Free PMC article.
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