Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Gugisch, Ralf"'
Autor:
Gugisch, Ralf, Kerber, Adalbert *, Kohnert, Axel, Laue, Reinhard, Meringer, Markus, Rücker, Christoph, Wassermann, Alfred
Publikováno v:
In Advances in Mathematical Chemistry and Applications 2015:113-138
Autor:
Gugisch, Ralf, Rücker, Christoph
Publikováno v:
Gugisch, R & Rücker, C 2009, ' Unified Generation of Conformations, Conformers, and Stereoisomers : A Discrete Mathematics-Based Approach ' MATCH Communications in mathematical and in computer chemistry, vol 61, pp. 117-148 .
Gugisch, R & Rücker, C 2009, ' Unified Generation of Conformations, Conformers, and Stereoisomers : A Discrete Mathematics-Based Approach ', MATCH Communications in mathematical and in computer chemistry, vol. 61, no. 1, pp. 117-148 . < http://match.pmf.kg.ac.rs/electronic_versions/Match61/n1/match61n1_117-148.pdf >
Gugisch, R & Rücker, C 2009, ' Unified Generation of Conformations, Conformers, and Stereoisomers : A Discrete Mathematics-Based Approach ', MATCH Communications in mathematical and in computer chemistry, vol. 61, no. 1, pp. 117-148 . < http://match.pmf.kg.ac.rs/electronic_versions/Match61/n1/match61n1_117-148.pdf >
In this feasibility study we propose an approach to a unified generation of stereoisomersincluding conformers of a molecular structure. The method is based on discretemathematics, it recognizes and varies the orientation of in principle each quadrupl
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https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::844b1c27e62cd0cf80729f62ec58c38f
http://fox.leuphana.de/portal/de/publications/unified-generation-of-conformations-conformers-and-stereoisomers(78d0b3fa-6b17-445e-9d67-55550b0ddb67).html
http://fox.leuphana.de/portal/de/publications/unified-generation-of-conformations-conformers-and-stereoisomers(78d0b3fa-6b17-445e-9d67-55550b0ddb67).html
Autor:
Hertkorn, N., Rücker, Christoph, Meringer, M., Gugisch, Ralf, Frommberger, M., Perdue, E.M., Witt, M., Schmitt-Kopplin, P.
Publikováno v:
Hertkorn, N, Rücker, C, Meringer, M, Gugisch, R, Frommberger, M, Perdue, E M, Witt, M & Schmitt-Kopplin, P 2007, ' High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems. ', Analytical & Bioanalytical Chemistry, vol. 389, no. 5, pp. 1311-1327 . https://doi.org/10.1007/s00216-007-1577-4
Hertkorn, N, Rücker, C, Meringer, M, Gugisch, R, Frommberger, M, Perdue, E M, Witt, M & Schmitt-Kopplin, P 2007, ' High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems. ' Analytical & Bioanalytical Chemistry, no. 389, pp. 1311-1327 . DOI: 10.1007/s00216-007-1577-4
Hertkorn, N, Rücker, C, Meringer, M, Gugisch, R, Frommberger, M, Perdue, E M, Witt, M & Schmitt-Kopplin, P 2007, ' High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems. ' Analytical & Bioanalytical Chemistry, no. 389, pp. 1311-1327 . DOI: 10.1007/s00216-007-1577-4
This perspective article provides an assessment of the state-of-the-art in the molecular-resolution analysis of complex organic materials. These materials can be divided into biomolecules in complex mixtures (which are amenable to successful separati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::7e9770f376114180387b9fbd5183f535
http://fox.leuphana.de/portal/de/publications/highprecision-frequency-measurements-indispensable-tools-at-the-core-of-the-molecularlevel-analysis-of-complex-systems(ca9b7a78-04aa-49dd-adba-d642211390f5).html
http://fox.leuphana.de/portal/de/publications/highprecision-frequency-measurements-indispensable-tools-at-the-core-of-the-molecularlevel-analysis-of-complex-systems(ca9b7a78-04aa-49dd-adba-d642211390f5).html
Publikováno v:
Braun, J, Gugisch, R, Kerber, A, Laue, R, Meringer, M & Rücker, C 2004, ' MOLGEN-CID : a canonizer for molecules and graphs accessible through the internet. ', Journal of Chemical Information and Computer Science, vol. 44, no. 2, pp. 542-548 . https://doi.org/10.1021/ci030404l
Braun, J, Gugisch, R, Kerber, A, Laue, R, Meringer, M & Rücker, C 2004, ' MOLGEN-CID : a canonizer for molecules and graphs accessible through the internet. ' Journal of Chemical Information and Computer Science, vol 44, no. 2, pp. 542-548 . DOI: 10.1021/ci030404l
Braun, J, Gugisch, R, Kerber, A, Laue, R, Meringer, M & Rücker, C 2004, ' MOLGEN-CID : a canonizer for molecules and graphs accessible through the internet. ' Journal of Chemical Information and Computer Science, vol 44, no. 2, pp. 542-548 . DOI: 10.1021/ci030404l
The MOLGEN Chemical Identifier MOLGEN-CID is a software module freely accessible via the Internet. For a molecule or graph entered in molfile format (2D) it produces, by a canonical renumbering procedure, a canonical molfile and a unique character st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::57993fc343c69fd5d4d82372d5344bff
http://fox.leuphana.de/portal/de/publications/molgencid(cad69cc0-9256-458d-a28f-8c09c95f3c2c).html
http://fox.leuphana.de/portal/de/publications/molgencid(cad69cc0-9256-458d-a28f-8c09c95f3c2c).html
Akademický článek
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Akademický článek
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Publikováno v:
Journal of Chemical Information and Modeling; September 2004, Vol. 44 Issue: 5 p1654-1665, 12p
Autor:
Braun, Joachim, Gugisch, Ralf, Kerber, Adalbert, Laue, Reinhard, Meringer, Markus, Rücker, Christoph
Publikováno v:
Journal of Chemical Information and Modeling; March 2004, Vol. 44 Issue: 2 p542-548, 7p
Autor:
Arif, Shereena M., Basak, Subhash C., Bhattacharjee, Apurba, Bonchev, Danail, Chattaraj, Pratim K., Dehmer, Matthias, Gálvez, Jorge, Gálvez-Llompart, María, García-Domenech, Ramón, Gugisch, Ralf, Hefferlin, Ray, Holliday, John D., Kerber, Adalbert, Kohnert, Axel, Laue, Reinhard, Lučić, Bono, Majumdar, Subhabrata, Meringer, Markus, Rajagopalan, Lakshminarasimhan, Rajesh, Hariharan, Restrepo, Guillermo, Roy, Debesh R., Rücker, Christoph, Sivakumar, Lavanya, Sović, Ivan, Trinajstić, Nenad, Viswanadhan, Vellarkad N., Vračko, Marjan, Wassermann, Alfred, Willett, Peter
Publikováno v:
In Advances in Mathematical Chemistry and Applications 2015:xvii-xviii