Zobrazeno 1 - 10
of 155
pro vyhledávání: '"SPHINGOMONAS-PAUCIMOBILIS UT26"'
Akademický článek
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Akademický článek
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Publikováno v:
Journal of chemical information and modeling, 54(7), 2079-2092. AMER CHEMICAL SOC INC
Computational approaches could decrease the need for the laborious high-throughput experimental screening that is often required to improve enzymes by mutagenesis. Here, we report that using multiple short molecular dynamics (MD) simulations makes it
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0eaa4131bf8ad2021d03fa9db65a76b
https://doi.org/10.1021/ci500126x
https://doi.org/10.1021/ci500126x
Autor:
Dick B. Janssen, Ben L. Feringa, Siewert J. Marrink, Aline Ramos-Silva, Hein J. Wijma, Wiktor Szymanski, Peter A. Jekel, Robert J. Floor, Dana I. Colpa
Publikováno v:
ChemBioChem, 15(11), 1659-1671. WILEY-V C H VERLAG GMBH
We explored the use of a computational design framework for the stabilization of the haloalkane dehalogenase LinB. Energy calculations, disulfide bond design, molecular dynamics simulations, and rational inspection of mutant structures predicted many
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::061cfef9e51a69fbec0254ec823b7cf0
https://doi.org/10.1002/cbic.201402128
https://doi.org/10.1002/cbic.201402128
Akademický článek
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Autor:
Hein J. Wijma, Alja Westerbeek, Dick B. Janssen, Ben L. Feringa, Wiktor Szymanski, Siewert J. Marrink
Publikováno v:
Advanced Synthesis & Catalysis, 353(6), 931-944. WILEY-V C H VERLAG GMBH
Haloalkane dehalogenases from five sources were heterologously expressed in Escherichia coli, isolated, and tested for their ability to achieve kinetic resolution of racemic alpha-bromoamides, which are important intermediates used in the preparation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41afeaac2178526260357548bf15af86
https://doi.org/10.1002/adsc.201000726
https://doi.org/10.1002/adsc.201000726
Publikováno v:
Proteins
70 (2008): 707–717. doi:10.1002/prot.21523
info:cnr-pdr/source/autori:Otyepka, M; Banas, P; Magistrato, A; Carloni, P; Damborsky, J/titolo:Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM%2FMM methods/doi:10.1002%2Fprot.21523/rivista:Proteins (Print)/anno:2008/pagina_da:707/pagina_a:717/intervallo_pagine:707–717/volume:70
70 (2008): 707–717. doi:10.1002/prot.21523
info:cnr-pdr/source/autori:Otyepka, M; Banas, P; Magistrato, A; Carloni, P; Damborsky, J/titolo:Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM%2FMM methods/doi:10.1002%2Fprot.21523/rivista:Proteins (Print)/anno:2008/pagina_da:707/pagina_a:717/intervallo_pagine:707–717/volume:70
Mechanistic studies on the hydrolytic dehalogenation catalyzed by haloalkane dehalogenases are of importance for environmental and industrial applications. Here, Car-Parrinello (CP) and ONIOM hybrid quantum-mechanical/molecular mechanics (QM/MM) are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::723b513674f8ff2d6b1c50ef01b077e5
https://doi.org/10.1002/prot.21523
https://doi.org/10.1002/prot.21523
Autor:
Dick B. Janssen
Publikováno v:
Current Opinion in Chemical Biology, 8(2), 150-159. ELSEVIER SCI LTD
Mechanistic insight into the biochemistry of carbon-halogen bond cleavage is rapidly growing because of recent structural, biochemical and computational studies that have provided further insight into how haloalkane dehalogenases achieve their impres
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc9d7a1576a8fa058bdf5adda7aacc4f
https://doi.org/10.1016/j.cbpa.2004.02.012
https://doi.org/10.1016/j.cbpa.2004.02.012
Publikováno v:
Biochemistry, 42(26), 8047-8053. AMER CHEMICAL SOC
Haloalkane dehalogenase from Rhodococcus rhodochrous NCIMB 13064 (DhaA) catalyzes the hydrolysis of carbon-halogen bonds in a wide range of haloalkanes. We examined the steady-state and pre-steady-state kinetics of halopropane conversion by DhaA to i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22f77ea7ee1550380cd84c6b3cc3a1a9
https://doi.org/10.1021/bi026907m
https://doi.org/10.1021/bi026907m
Publikováno v:
Current Opinion in Biotechnology. 12(3):254-258
Novel dehalogenases have been identified recently in various bacteria that utilise halogenated substrates. X-ray studies and sequence analysis have revealed insight into the molecular mechanisms of hydrolytic dehalogenases. Furthermore, genetic and b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dris___01423::81f51debb79e044098a4d96c0c7b6126
https://research.rug.nl/en/publications/38f453b1-8d80-4b98-83b6-7ea236a5a3ff
https://research.rug.nl/en/publications/38f453b1-8d80-4b98-83b6-7ea236a5a3ff