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Markus A Lill

Showing results (11-20 of 84) with videos related to

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Journal of Chemical Theory and Computation|August 6, 2016
Dissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand BindingYing Yang, Markus A Lill
Proceedings of the National Academy of Sciences of the United States of America|March 7, 2002
Proton shuttle in green fluorescent protein studied by dynamic simulationsMarkus A Lill, Volkhard Helms
Journal of Computer-Aided Molecular Design|November 6, 2010
Computer-aided drug design platform using PyMOLMarkus A Lill, Matthew L Danielson
Proteins|February 27, 2010
New computational method for prediction of interacting protein loop regionsMatthew L Danielson, Markus A Lill
Proteins|November 11, 2011
Predicting flexible loop regions that interact with ligands: the challenge of accurate scoringMatthew L Danielson, Markus A Lill
Journal of Chemical Information and Modeling|August 30, 2011
Solvent interaction energy calculations on molecular dynamics trajectories: increasing the efficiency using systematic frame selectionMarkus A Lill, Jared J Thompson
Plos One|June 24, 2014
Ensemble generation and the influence of protein flexibility on geometric tunnel prediction in cytochrome P450 enzymesLaura J Kingsley, Markus A Lill
Journal of Computational Chemistry|July 22, 2014
Including ligand-induced protein flexibility into protein tunnel predictionLaura J Kingsley, Markus A Lill
Journal of Cheminformatics|August 5, 2025
Neural SHAKE: geometric constraints in neural differential equationsJustin S Diamond, Markus A Lill
Future Medicinal Chemistry|May 11, 2011
Integrating structure-based and ligand-based approaches for computational drug designGregory L Wilson, Markus A Lill
Pageof 9

Showing results (11-20 of 84) with videos related to

Sort By:
Pageof 9
Journal of Chemical Theory and Computation|August 6, 2016
Dissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand BindingYing Yang, Markus A Lill
Proceedings of the National Academy of Sciences of the United States of America|March 7, 2002
Proton shuttle in green fluorescent protein studied by dynamic simulationsMarkus A Lill, Volkhard Helms
Journal of Computer-Aided Molecular Design|November 6, 2010
Computer-aided drug design platform using PyMOLMarkus A Lill, Matthew L Danielson
Proteins|February 27, 2010
New computational method for prediction of interacting protein loop regionsMatthew L Danielson, Markus A Lill
Proteins|November 11, 2011
Predicting flexible loop regions that interact with ligands: the challenge of accurate scoringMatthew L Danielson, Markus A Lill
Journal of Chemical Information and Modeling|August 30, 2011
Solvent interaction energy calculations on molecular dynamics trajectories: increasing the efficiency using systematic frame selectionMarkus A Lill, Jared J Thompson
Plos One|June 24, 2014
Ensemble generation and the influence of protein flexibility on geometric tunnel prediction in cytochrome P450 enzymesLaura J Kingsley, Markus A Lill
Journal of Computational Chemistry|July 22, 2014
Including ligand-induced protein flexibility into protein tunnel predictionLaura J Kingsley, Markus A Lill
Journal of Cheminformatics|August 5, 2025
Neural SHAKE: geometric constraints in neural differential equationsJustin S Diamond, Markus A Lill
Future Medicinal Chemistry|May 11, 2011
Integrating structure-based and ligand-based approaches for computational drug designGregory L Wilson, Markus A Lill
Pageof 9