Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers

Autor: Alexey A. Belogurov, Spyros D. Chatziefthimiou, Richard A. Lerner, Ekaterina Round, Yuliana A. Mokrushina, T. V. Bobik, Alexander G. Gabibov, Anastasia V. Stepanova, Andrey V. Golovin, G. Michael Blackburn, Gleb Bourenkov, Matthias Wilmanns, Alexander Zlobin, O. G. Shamborant, Ivan V. Smirnov, Alexey Stepanov, Kirill A. Konovalov, Arthur O. Zalevsky, Stanislav S. Terekhov, Sofiya O. Pipiya, Jia Xie, Alexander A. Makarov

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America 117(37), 22841-22848 (2020). doi:10.1073/pnas.2010317117
Proceedings of the National Academy of Sciences of the United States of America

Proceedings of the National Academy of Sciences of the United States of America 117(37), 22841 - 22848 (2020). doi:10.1073/pnas.2010317117
Quantum mechanics/molecular mechanics (QM/MM) maturation of an immunoglobulin (Ig) powered by supercomputa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8487a01b9207d346e1a8894bad052d84

Induction of insulin-like growth factor 1 splice forms by subfragments of myofibrillar proteins

Autor: Irina V. Kravchenko, Vladimir Popov, Matthias Wilmanns, Vladimir A. Furalyov, Spyros D. Chatziefthimiou

Publikováno v: Molecular and Cellular Endocrinology. 399:69-77

Expression of insulin-like growth factor 1 (IGF-1) mRNAs splice forms was recently shown to be stimulated by myofibrillar proteins released from the damaged muscle. In this study, we report that individual subfragments of titin and myomesin composed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa0ebe047af3ef11b9d98197c467e97c
https://doi.org/10.1016/j.mce.2014.08.010

Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin

Autor: Konstantina Yannakopoulou, Spyros D. Chatziefthimiou, Irene M. Mavridis, Athanasios Papakyriakou, Mario Inclán, Petros Giastas

Publikováno v: Chatziefthimiou, Spyros D. Inclán Nafría, Mario Alfonso Giastas, Petros Papakyriakou, Athanasios Yannakopoulou, Konstantina Mavridis, Irene M. 2017 Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin Beilstein Journal Of Organic Chemistry 13 1572 1582
RODERIC. Repositorio Institucional de la Universitat de Valéncia
instname
Beilstein Journal of Organic Chemistry, Vol 13, Iss 1, Pp 1572-1582 (2017)

The enantioselectivity of β-cyclodextrin (β-CD) towards L- and D-N-acetyltryptophan (NAcTrp) has been studied in aqueous solution and the crystalline state. NMR studies in solution show that β-CD forms complexes of very similar but not identical g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b29eabf93734d11888c3ebf451337d39
https://doi.org/10.3762/bjoc.13.157

Combination of Whole Genome Sequencing, Linkage, and Functional Studies Implicates a Missense Mutation in Titin as a Cause of Autosomal Dominant Cardiomyopathy With Features of Left Ventricular Noncompaction

Autor: Robert, Hastings, Carin P, de Villiers, Charlotte, Hooper, Liz, Ormondroyd, Alistair, Pagnamenta, Stefano, Lise, Silvia, Salatino, Samantha J L, Knight, Jenny C, Taylor, Kate L, Thomson, Linda, Arnold, Spyros D, Chatziefthimiou, Petr V, Konarev, Matthias, Wilmanns, Elisabeth, Ehler, Andrea, Ghisleni, Mathias, Gautel, Edward, Blair, Hugh, Watkins, Katja, Gehmlich

Publikováno v: Circulation. Cardiovascular genetics. 9(5)

High throughput next-generation sequencing techniques have made whole genome sequencing accessible in clinical practice; however, the abundance of variation in the human genomes makes the identification of a disease-causing mutation on a background o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::525769556081560fd94807ed7bf7d3c8
https://pubmed.ncbi.nlm.nih.gov/27998947

Inhibitory activity of the novel Zn[(OPPh2)(SePPh2)N]2 complex towards the Platelet Activating Factor (PAF) and thrombin: Comparison with its isomorphous Co(II) and Ni(II) analogues

Autor: Panayotis Kyritsis, Spyros D. Chatziefthimiou, Maria Roulia, Alexandros Tsoupras, Constantinos A. Demopoulos, Eleftherios Ferentinos

Publikováno v: Inorganica Chimica Acta. 378:102-108

The Zn[(OPPh2)(SePPh2)N]2 complex was prepared by a metathetical reaction between a Zn(II) salt and the deprotonated form of the dichalcogenoimidodiphosphinato ligand [(OPPh2)(SePPh2)N]−. X-ray crystallography revealed a pseudo-tetrahedral MO2Se2 c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::59274f1b996add6d4cdadf1af13e441b
https://doi.org/10.1016/j.ica.2011.08.029