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Hybrid quantum mechanical/molecular mechanical investigation of the β-1,4-galactosyltransferase-I mechanism.
Title Hybrid quantum mechanical/molecular mechanical investigation of the β-1,4-galactosyltransferase-I mechanism. Author Krupička Martin SAVCHEM - Chemický ústav SAV Co-authors Tvaroška Igor 1944 SAVCHEM - Chemický ústav SAV SCOPUS RID ORCID Source document Journal of Physical Chemistry B. Vol. 113, (2009), p. 11314-11319 Language eng - English Document kind rozpis článkov z periodík (rbx) Citations Audry, M (Audry, Magali); Jeanneau, C (Jeanneau, Charlotte); Imberty, A (Imberty, Anne); Harduin-Lepers, A (Harduin-Lepers, Anne); Delannoy, P (Delannoy, Philippe); Breton, C (Breton, Christelle) Source: GLYCOBIOLOGY Volume: 21 Issue: 6 Pages: 716-726 Roldos, V (Roldos, Virginia); Canada, FJ (Javier Canada, F.); Jimenez-Barbero, J (Jimenez-Barbero, Jesus) Source: CHEMBIOCHEM Volume: 12 Issue: 7 Pages: 990-1005 French, AD (French, Alfred D.); Johnson, GP (Johnson, Glenn P.) Source: PLANT CELL WALL: METHODS AND PROTOCOLS Book Series: Methods in Molecular Biology Volume: 715 Pages: 21-42 Talafova, K (Talafova, Klaudia); Nahalka, J (Nahalka, Jozef) In: CENTRAL EUROPEAN JOURNAL OF BIOLOGY Volume: 7 Issue: 5 Pages: 777-793 Tsutsui, Y (Tsutsui, Yuko); Ramakrishnan, B (Ramakrishnan, Boopathy); Qasba, PK (Qasba, Pradman K.), In: JOURNAL OF BIOLOGICAL CHEMISTRY Volume: 288 Issue: 44 Pages: 31963-31970 Kellie, JL (Kellie, Jennifer L.); Wetmore, SD (Wetmore, Stacey D.), In: CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE Volume: 91 Issue: 7 Pages: 559-572 ARDEVOL, Albert - ROVIRA, Carme. Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations. In JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. ISSN 0002-7863, 2015, vol. 137, no. 24, pp. 7528-7547. YANG, Hui - ZIMMER, Jochen - YINGLING, Yaroslava G. - KUBICKI, James D. How Cellulose Elongates-A QM/MM Study of the Molecular Mechanism of Cellulose Polymerization in Bacterial CESA. In JOURNAL OF PHYSICAL CHEMISTRY B. ISSN 1520-6106, 2015, vol. 119, no. 22, pp. 6525-6535. LIANG, Dong-Mei - LIU, Jia-Heng - WU, Hao - WANG, Bin-Bin - ZHU, Hong-Ji - QIAO, Jian-Jun. Glycosyltransferases: mechanisms and applications in natural product development. In CHEMICAL SOCIETY REVIEWS. ISSN 0306-0012, 2015, vol. 44, no. 22, pp. 8350-8374. ZIMMER, Jochen. A Molecular Description of Cellulose Biosynthesis. In BIOPHYSICAL JOURNAL. ISSN 0006-3495, 2015, vol. 108, no. 2, pp. 499A-499A. Siegbahn, A (Siegbahn, Anna); Manner, S (Manner, Sophie); Persson, A (Persson, Andrea); Tykesson, E (Tykesson, Emil); Holmqvist, K (Holmqvist, Karin); Ochocinska, A (Ochocinska, Agata); Ronnols, J (Ronnols, Jerk); Sundin, A (Sundin, Anders); Mani, K (Mani, Katrin); Westergren-Thorsson, G (Westergren-Thorsson, Gunilla); Widmalm, G (Widmalm, Goran); Ellervik, U (Ellervik, Ulf), In. CHEMICAL SCIENCE Volume: 5 Issue: 9 Pages: 3501-3508 SOBHANIFAR, Solmaz - WORRALL, Liam J. - KING, Dustin T. - WASNEY, Gregory A. - BAUMANN, Lars - GALE, Robert T. - NOSELLA, Michael - BROWN, Eric D. - WITHERS, Stephen G. - STRYNADKA, Natalie C. J. Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance. In PLOS PATHOGENS. ISSN 1553-7366, 2016, vol. 12, no. 12, pp. MAYES, Heather B. - KNOTT, Brandon C. - CROWLEY, Michael F. - BROADBELT, Linda J. - STÅHLBERG, Jerry - BECKHAM, Gregg T. Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases. In Chemical Science. ISSN 20416520, 2016-01-01, 7, 9, pp. 5955-5968. KNOTT, Brandon C. - CROWLEY, Michael F. - HIMMEL, Michael E. - ZIMMER, Jochen - BECKHAM, Gregg T. Simulations of cellulose translocation in the bacterial cellulose synthase suggest a regulatory mechanism for the dimeric structure of cellulose. In CHEMICAL SCIENCE. ISSN 2041-6520, 2016, vol. 7, no. 5, pp. 3108-3116. KANG, Jiyoung - KINO, Hiori - FIELD, Martin J. - TATENO, Masaru. Electronic Structure Rearrangements in Hybrid Ribozyme/Protein Catalysis. In JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN. ISSN 0031-9015, 2017, vol. 86, no. 4, pp. BLANCO CAPURRO, Juan I. - HOPKINS, Chad W. - PIERDOMINICI SOTTILE, Gustavo - GONZALEZ LEBRERO, Mariano C. - ROITBERG, Adrian E. - MARTI, Marcelo A. Theoretical Insights into the Reaction and Inhibition Mechanism of Metal-Independent Retaining Glycosyltransferase Responsible for Mycothiol Biosynthesis. In JOURNAL OF PHYSICAL CHEMISTRY B. ISSN 1520-6106, 2017, vol. 121, no. 3, pp. 471-478. KONA, J. How inverting beta-1,4-galactosyltransferase-1 can quench a high charge of the by-product UDP(3-)in catalysis: a QM/MM study of enzymatic reaction with native and UDP-5 ' thio galactose substrates. In ORGANIC & BIOMOLECULAR CHEMISTRY. ISSN 1477-0520, 2020, vol. 18, no. 38, pp. 7585-7596. Dostupné na: https://doi.org/10.1039/d0ob01490g. ZHANG HAO-WEN - CAO HAO - WANG YU-LU - XIN FENG-JIAO. Research Progress on Carbohydrate Active Enzymes (CAZYmes) Derived From Human Gut Microbiota. In PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS. ISSN 1000-3282, 2020, vol. 47, no. 7, pp. 607-625. Dostupné na: https://doi.org/10.16476/j.pibb.2020.0059. FRENCH, Alfred D. - JOHNSON, Glenn P. Computerized Molecular Modeling of Carbohydrates. In PLANT CELL WALL, 2 EDITION. ISSN 1064-3745, 2020, vol. 2149, no., pp. 513-539. Dostupné na: https://doi.org/10.1007/978-1-0716-0621-6_29. FU, Yue - BERNASCONI, Leonardo - LIU, Peng. Ab Initio Molecular Dynamics Simulations of the S(N)1/S(N)2 Mechanistic Continuum in Glycosylation Reactions. In JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2021, vol. 143, no. 3, pp. 1577-1589. ISSN 0002-7863. Dostupné na: https://doi.org/10.1021/jacs.0c12096. PEREZ, S. - MAKSHAKOVA, O. Multifaceted Computational Modeling in Glycoscience. In CHEMICAL REVIEWS. ISSN 0009-2665, OCT 26 2022, vol. 122, no. 20, p. 15914-15970. Dostupné na: https://doi.org/10.1021/acs.chemrev.2c00060. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2009 Registered in SCOPUS DOI 10.1021/jp904716t 
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rok CC IF IF Q (best) JCR Av Jour IF Perc SJR SJR Q (best) CiteScore A rok vydania rok metriky IF IF Q (best) SJR SJR Q (best) 2009 2008 4.189 Q1 2.580 Q1
Number of the records: 1