Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Manfred Hendlich"'
Autor:
Marcel Mischnik, Matthias Schäfer, Daniel Crowther, Manfred Hendlich, Jürgen Cox, Thomas Klabunde, Hans-Christoph Schneider, Matthias Mann, Francesca Sacco
Publikováno v:
Bioinformatics. 32:424-431
Motivation: Phosphoproteomics measurements are widely applied in cellular biology to detect changes in signalling dynamics. However, due to the inherent complexity of phosphorylation patterns and the lack of knowledge on how phosphorylations are rela
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5061291203892c0e63d5ca5e414079c2
https://doi.org/10.1093/bioinformatics/btv699
https://doi.org/10.1093/bioinformatics/btv699
Publikováno v:
Journal of Molecular Biology. 326:621-636
The concept of structure-based drug design is based upon an in-depth understanding of the principles of molecular recognition. Despite our lack of a thorough comprehension of these principles, the wealth of protein structures available opens up unpre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::394b647091456698b3dfb837b7985055
https://doi.org/10.1016/s0022-2836(02)01409-2
https://doi.org/10.1016/s0022-2836(02)01409-2
Publikováno v:
Angewandte Chemie. 113:3237-3241
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19045e7c3180fcad2f16f86711be8e9f
https://doi.org/10.1002/1521-3757(20010903)113:17<3237::aid-ange3237>3.0.co
https://doi.org/10.1002/1521-3757(20010903)113:17<3237::aid-ange3237>3.0.co
Publikováno v:
Biopolymers. 61:99-110
Relibase is a database system that has been specially designed to handle protein-ligand data. Included within Relibase is a tool that can be used to systematically analyse protein-ligand interaction patterns specified by three-dimensional (3D) constr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a4c1347b34ee1f86087f6677bee72b9
https://doi.org/10.1002/1097-0282(2001/2002)61:2<99::aid-bip10075>3.0.co
https://doi.org/10.1002/1097-0282(2001/2002)61:2<99::aid-bip10075>3.0.co
Autor:
Manfred Hendlich
Publikováno v:
Acta Crystallographica Section D Biological Crystallography. 54:1178-1182
Recent advances in experimental techniques have led to an enormous explosion of available data about protein–ligand complexes. To exploit the information that is hidden in these large data, collection tools for managing and accessing huge data coll
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b2d8a487800519abc461c1f3aaa6910
https://doi.org/10.1107/s0907444998007124
https://doi.org/10.1107/s0907444998007124
Publikováno v:
Journal of Chemical Information and Computer Sciences. 37:774-778
A method for assigning hybridization states and bond orders to protein ligands from the Brookhaven Protein Databank1 is presented. The assignment procedure is based on the recognition of simple chemical groups and on an analysis of bond length and bo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::27af52480aec0b9c7e6d1ba1d03495e9
https://doi.org/10.1021/ci9603487
https://doi.org/10.1021/ci9603487
Autor:
Karl Gottsbacher, Georg Casari, Peter Lackner, Manfred Hendlich, Rosina Froschauer, Hannes Floeckner, Manfred J. Sippl, Sabine Weitckus
Publikováno v:
Journal of Molecular Biology. 216:167-180
We present an approach that is able to detect native folds amongst a large number of non-native conformations. The method is based on the compilation of potentials of mean force of the interactions of the Cβ atoms of all amino acid pairs from a data
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8423cb0163c6115cd4d682a7e3c73425
https://doi.org/10.1016/s0022-2836(05)80068-3
https://doi.org/10.1016/s0022-2836(05)80068-3
Publikováno v:
Virtual Screening: An Alternative or Complement to High Throughput Screening? ISBN: 0792366336
The development of a new knowledge-based scoring function (DrugScore) and its power to recognize binding modes close to experiment, to predict binding affinities, and to identify ‘hot spots’ in binding pockets is presented. Structural information
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f27e5eb047b112a1adbd59c0036bd6d
https://doi.org/10.1007/0-306-46883-2_8
https://doi.org/10.1007/0-306-46883-2_8
Publikováno v:
Journal of molecular biology. 326(2)
Knowledge discovery from the exponentially growing body of structurally characterised protein-ligand complexes as a source of information in structure-based drug design is a major challenge in contemporary drug research. Given the need for powerful d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3eb229368e59a2e323cad4df4df682f4
https://pubmed.ncbi.nlm.nih.gov/12559926
https://pubmed.ncbi.nlm.nih.gov/12559926
Publikováno v:
Angewandte Chemie (International ed. in English). 40(17)
Protein function is almost invariably linked with the specific recognition of substrates or endogenous ligands in particular binding pockets; proteins of related function should, therefore, share comparable recognition pockets. On the basis of this i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c52f039e55378be9e0dbdb39475172ae
https://pubmed.ncbi.nlm.nih.gov/29712060
https://pubmed.ncbi.nlm.nih.gov/29712060