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Daan P Geerke

Showing results (41-50 of 59) with videos related to

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Molecular Informatics|November 19, 2016
Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine TransporterAmir Seddik, Daan P Geerke, Thomas Stockner, et al.
Journal of Cheminformatics|November 22, 2017
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulationsLuigi Capoferri, Marc van Dijk, Ariën S Rustenburg, et al.
Journal of Computational Chemistry|November 15, 2011
New functionalities in the GROMOS biomolecular simulation softwareAnna-Pitschna E Kunz, Jane R Allison, Daan P Geerke, et al.
Chembiochem : a European Journal of Chemical Biology|January 26, 2012
A single active site mutation inverts stereoselectivity of 16-hydroxylation of testosterone catalyzed by engineered cytochrome P450 BM3Harini Venkataraman, Stephanie B A de Beer, Laura A H van Bergen, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 18, 2022
An Efficient, Site-Selective and Spontaneous Peptide Macrocyclisation During in vitro TranslationMinglong Liu, Ryoji Yoshisada, Avand Amedi, et al.
Journal of Chemical Theory and Computation|November 25, 2015
GROMOS++ Software for the Analysis of Biomolecular Simulation TrajectoriesAndreas P Eichenberger, Jane R Allison, Jožica Dolenc, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 14, 2022
C-X Bond Activation by Palladium: Steric Shielding versus Steric AttractionThomas Hansen, Xiaobo Sun, Marco Dalla Tiezza, et al.
Journal of Computational Chemistry|October 8, 2005
The GROMOS software for biomolecular simulation: GROMOS05Markus Christen, Philippe H Hünenberger, Dirk Bakowies, et al.
Journal of Inorganic Biochemistry|May 4, 2018
A combined computational and experimental study on selective flucloxacillin hydroxylation by cytochrome P450 BM3 variantsRosa A Luirink, Stefan J Dekker, Luigi Capoferri, et al.
Molecular Informatics|August 5, 2016
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX ProjectFerran Sanz, Pau Carrió, Oriol López, et al.
Pageof 6

Showing results (41-50 of 59) with videos related to

Sort By:
Pageof 6
Molecular Informatics|November 19, 2016
Combined Simulation and Mutation Studies to Elucidate Selectivity of Unsubstituted Amphetamine-like Cathinones at the Dopamine TransporterAmir Seddik, Daan P Geerke, Thomas Stockner, et al.
Journal of Cheminformatics|November 22, 2017
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulationsLuigi Capoferri, Marc van Dijk, Ariën S Rustenburg, et al.
Journal of Computational Chemistry|November 15, 2011
New functionalities in the GROMOS biomolecular simulation softwareAnna-Pitschna E Kunz, Jane R Allison, Daan P Geerke, et al.
Chembiochem : a European Journal of Chemical Biology|January 26, 2012
A single active site mutation inverts stereoselectivity of 16-hydroxylation of testosterone catalyzed by engineered cytochrome P450 BM3Harini Venkataraman, Stephanie B A de Beer, Laura A H van Bergen, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 18, 2022
An Efficient, Site-Selective and Spontaneous Peptide Macrocyclisation During in vitro TranslationMinglong Liu, Ryoji Yoshisada, Avand Amedi, et al.
Journal of Chemical Theory and Computation|November 25, 2015
GROMOS++ Software for the Analysis of Biomolecular Simulation TrajectoriesAndreas P Eichenberger, Jane R Allison, Jožica Dolenc, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 14, 2022
C-X Bond Activation by Palladium: Steric Shielding versus Steric AttractionThomas Hansen, Xiaobo Sun, Marco Dalla Tiezza, et al.
Journal of Computational Chemistry|October 8, 2005
The GROMOS software for biomolecular simulation: GROMOS05Markus Christen, Philippe H Hünenberger, Dirk Bakowies, et al.
Journal of Inorganic Biochemistry|May 4, 2018
A combined computational and experimental study on selective flucloxacillin hydroxylation by cytochrome P450 BM3 variantsRosa A Luirink, Stefan J Dekker, Luigi Capoferri, et al.
Molecular Informatics|August 5, 2016
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX ProjectFerran Sanz, Pau Carrió, Oriol López, et al.
Pageof 6