Christian Kramer
Christian Kramer
Roche Basel
Overená e-mailová adresa na: roche.com
Názov
Citované v
Citované v
Rok
Comparability of mixed IC 50 data–a statistical analysis
T Kalliokoski, C Kramer, A Vulpetti, P Gedeck
PloS one 8 (4), e61007, 2013
1792013
MM/GBSA binding energy prediction on the PDBbind data set: successes, failures, and directions for further improvement
PA Greenidge, C Kramer, JC Mozziconacci, RM Wolf
Journal of chemical information and modeling 53 (1), 201-209, 2013
1612013
The Experimental Uncertainty of Heterogeneous Public Ki Data
C Kramer, T Kalliokoski, P Gedeck, A Vulpetti
Journal of medicinal chemistry 55 (11), 5165-5173, 2012
1592012
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets
C Kramer, P Gedeck
Journal of chemical information and modeling 50 (11), 1961-1969, 2010
742010
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence
C Kramer, P Gedeck, M Meuwly
Journal of computational chemistry 33 (20), 1673-1688, 2012
602012
Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA
PA Greenidge, C Kramer, JC Mozziconacci, W Sherman
Journal of chemical information and modeling 54 (10), 2697-2717, 2014
572014
Charge anisotropy: where atomic multipoles matter most
C Kramer, A Spinn, KR Liedl
Journal of chemical theory and computation 10 (10), 4488-4496, 2014
532014
A composite model for hERG blockade
C Kramer, B Beck, JM Kriegl, T Clark
ChemMedChem 3 (2), 254-265, 2008
532008
Leveraging symmetries of static atomic multipole electrostatics in molecular dynamics simulations
T Bereau, C Kramer, M Meuwly
Journal of chemical theory and computation 9 (12), 5450-5459, 2013
492013
Matched molecular pair analysis: significance and the impact of experimental uncertainty
C Kramer, JE Fuchs, S Whitebread, P Gedeck, KR Liedl
Journal of medicinal chemistry 57 (9), 3786-3802, 2014
482014
Potent Inhibitors of tRNA‐Guanine Transglycosylase, an Enzyme Linked to the Pathogenicity of the Shigella Bacterium: Charge‐Assisted Hydrogen Bonding
SR Hörtner, T Ritschel, B Stengl, C Kramer, WB Schweizer, B Wagner, ...
Angewandte Chemie International Edition 46 (43), 8266-8269, 2007
48*2007
Multipole-based force fields from ab initio interaction energies and the need for jointly refitting all intermolecular parameters
C Kramer, P Gedeck, M Meuwly
Journal of Chemical Theory and Computation 9 (3), 1499-1511, 2013
412013
QSARs, data and error in the modern age of drug discovery
C Kramer, R Lewis
Current topics in medicinal chemistry 12 (17), 1896-1902, 2012
402012
Antipneumococcal activity of neuraminidase inhibiting artocarpin
E Walther, M Richter, Z Xu, C Kramer, S Von Grafenstein, J Kirchmair, ...
International Journal of Medical Microbiology 305 (3), 289-297, 2015
362015
Insolubility classification with accurate prediction probabilities using a MetaClassifier
C Kramer, B Beck, T Clark
Journal of chemical information and modeling 50 (3), 404-414, 2010
322010
Global free energy scoring functions based on distance-dependent atom-type pair descriptors
C Kramer, P Gedeck
Journal of chemical information and modeling 51 (3), 707-720, 2011
292011
A consistent dataset of kinetic solubilities for early‐phase drug discovery
C Kramer, T Heinisch, T Fligge, B Beck, T Clark
ChemMedChem: Chemistry Enabling Drug Discovery 4 (9), 1529-1536, 2009
292009
Learning medicinal chemistry absorption, distribution, metabolism, excretion, and toxicity (ADMET) rules from cross-company matched molecular pairs analysis (MMPA) miniperspective
C Kramer, A Ting, H Zheng, J Hert, T Schindler, M Stahl, G Robb, ...
Journal of medicinal chemistry 61 (8), 3277-3292, 2017
282017
Deriving static atomic multipoles from the electrostatic potential
C Kramer, T Bereau, A Spinn, KR Liedl, P Gedeck, M Meuwly
Journal of chemical information and modeling 53 (12), 3410-3417, 2013
272013
Strong nonadditivity as a key structure–activity relationship feature: distinguishing structural changes from assay artifacts
C Kramer, JE Fuchs, KR Liedl
Journal of chemical information and modeling 55 (3), 483-494, 2015
242015
Systém momentálne nemôže vykonať operáciu. Skúste to znova neskôr.
Články 1–20