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Journal of Chemical Information and Modeling
|
September 12, 2019
Nonadditivity Analysis
Christian Kramer
Journal of Chemical Information and Modeling
|
October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets
Christian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling
|
February 23, 2011
Global free energy scoring functions based on distance-dependent atom-type pair descriptors
Christian Kramer, Peter Gedeck
Journal of Cheminformatics
|
April 26, 2014
Limits to molecular matched-pair analysis: the experimental uncertainty case
Christian Kramer, Klaus Liedl
Current Topics in Medicinal Chemistry
|
November 3, 2012
QSARs, data and error in the modern age of drug discovery
Christian Kramer, Richard Lewis
Journal of Chemical Information and Modeling
|
June 1, 2011
Three descriptor model sets a high standard for the CSAR-NRC HiQ benchmark
Christian Kramer, Peter Gedeck
Journal of Computer-Aided Molecular Design
|
October 3, 2015
Introduction to the special issue: Data Part 2: Experimental Data
Christian Kramer, John Chodera, Terry Stouch
Journal of Computational Chemistry
|
May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependence
Christian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling
|
January 30, 2010
A surface-integral model for log P OW
Christian Kramer, Bernd Beck, Timothy Clark
Journal of Chemical Theory and Computation
|
November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics Simulations
Tristan Bereau, Christian Kramer, Markus Meuwly
Page
of 7
Search research articles
Search
Showing results (1-10 of 61) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
September 12, 2019
Nonadditivity Analysis
Christian Kramer
Journal of Chemical Information and Modeling
|
October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets
Christian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling
|
February 23, 2011
Global free energy scoring functions based on distance-dependent atom-type pair descriptors
Christian Kramer, Peter Gedeck
Journal of Cheminformatics
|
April 26, 2014
Limits to molecular matched-pair analysis: the experimental uncertainty case
Christian Kramer, Klaus Liedl
Current Topics in Medicinal Chemistry
|
November 3, 2012
QSARs, data and error in the modern age of drug discovery
Christian Kramer, Richard Lewis
Journal of Chemical Information and Modeling
|
June 1, 2011
Three descriptor model sets a high standard for the CSAR-NRC HiQ benchmark
Christian Kramer, Peter Gedeck
Journal of Computer-Aided Molecular Design
|
October 3, 2015
Introduction to the special issue: Data Part 2: Experimental Data
Christian Kramer, John Chodera, Terry Stouch
Journal of Computational Chemistry
|
May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependence
Christian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling
|
January 30, 2010
A surface-integral model for log P OW
Christian Kramer, Bernd Beck, Timothy Clark
Journal of Chemical Theory and Computation
|
November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics Simulations
Tristan Bereau, Christian Kramer, Markus Meuwly
Page
of 7