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Marcel L Verdonk

Showing results (21-30 of 30) with videos related to

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Journal of Medicinal Chemistry|April 5, 2017
Predicting "Hot" and "Warm" Spots for Fragment BindingPrakash Chandra Rathi, R Frederick Ludlow, Richard J Hall, et al.
Chemmedchem|August 12, 2006
Automated protein-ligand crystallography for structure-based drug designWijnand T M Mooij, Michael J Hartshorn, Ian J Tickle, et al.
Journal of Chemical Information and Computer Sciences|May 25, 2004
Virtual screening using protein-ligand docking: avoiding artificial enrichmentMarcel L Verdonk, Valerio Berdini, Michael J Hartshorn, et al.
Journal of Chemical Information and Modeling|April 10, 2012
Potential and limitations of ensemble dockingOliver Korb, Tjelvar S G Olsson, Simon J Bowden, et al.
Journal of Medicinal Chemistry|February 16, 2007
Diverse, high-quality test set for the validation of protein-ligand docking performanceMichael J Hartshorn, Marcel L Verdonk, Gianni Chessari, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Generation of Quantum Configurational Ensembles Using Approximate PotentialsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Journal of Medicinal Chemistry|September 30, 2005
Modeling water molecules in protein-ligand docking using GOLDMarcel L Verdonk, Gianni Chessari, Jason C Cole, et al.
Journal of Medicinal Chemistry|April 25, 2007
Identification of inhibitors of protein kinase B using fragment-based lead discoveryGordon Saxty, Steven J Woodhead, Valerio Berdini, et al.
Journal of Molecular Biology|February 6, 2007
A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimeraThomas G Davies, Marcel L Verdonk, Brent Graham, et al.
Journal of Medicinal Chemistry|October 27, 2021
Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein InteractionDavid Norton, William G Bonnette, James F Callahan, et al.
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Showing results (21-30 of 30) with videos related to

Sort By:
Pageof 3
You have reached the last page of results.This site can display upto 30 results.
Journal of Medicinal Chemistry|April 5, 2017
Predicting "Hot" and "Warm" Spots for Fragment BindingPrakash Chandra Rathi, R Frederick Ludlow, Richard J Hall, et al.
Chemmedchem|August 12, 2006
Automated protein-ligand crystallography for structure-based drug designWijnand T M Mooij, Michael J Hartshorn, Ian J Tickle, et al.
Journal of Chemical Information and Computer Sciences|May 25, 2004
Virtual screening using protein-ligand docking: avoiding artificial enrichmentMarcel L Verdonk, Valerio Berdini, Michael J Hartshorn, et al.
Journal of Chemical Information and Modeling|April 10, 2012
Potential and limitations of ensemble dockingOliver Korb, Tjelvar S G Olsson, Simon J Bowden, et al.
Journal of Medicinal Chemistry|February 16, 2007
Diverse, high-quality test set for the validation of protein-ligand docking performanceMichael J Hartshorn, Marcel L Verdonk, Gianni Chessari, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Generation of Quantum Configurational Ensembles Using Approximate PotentialsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Journal of Medicinal Chemistry|September 30, 2005
Modeling water molecules in protein-ligand docking using GOLDMarcel L Verdonk, Gianni Chessari, Jason C Cole, et al.
Journal of Medicinal Chemistry|April 25, 2007
Identification of inhibitors of protein kinase B using fragment-based lead discoveryGordon Saxty, Steven J Woodhead, Valerio Berdini, et al.
Journal of Molecular Biology|February 6, 2007
A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimeraThomas G Davies, Marcel L Verdonk, Brent Graham, et al.
Journal of Medicinal Chemistry|October 27, 2021
Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein InteractionDavid Norton, William G Bonnette, James F Callahan, et al.
Pageof 3