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Molecular Informatics
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February 18, 2014
Comparing the Chemical Structure and Protein Content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database
Christopher Southan, Markus Sitzmann, Sorel Muresan
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2012
Mapping between databases of compounds and protein targets
Sorel Muresan, Markus Sitzmann, Christopher Southan
Journal of Chemical Information and Modeling
|
August 27, 2014
Enumeration of ring-chain tautomers based on SMIRKS rules
Laura Guasch, Markus Sitzmann, Marc C Nicklaus
Journal of Computer-Aided Molecular Design
|
June 1, 2010
Tautomerism in large databases
Markus Sitzmann, Wolf-Dietrich Ihlenfeldt, Marc C Nicklaus
Future Medicinal Chemistry
|
June 29, 2011
Software and resources for computational medicinal chemistry
Chenzhong Liao, Markus Sitzmann, Angelo Pugliese, et al.
Journal of Chemical Information and Modeling
|
February 15, 2014
QSAR modeling of imbalanced high-throughput screening data in PubChem
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Journal of Chemical Information and Modeling
|
January 24, 2014
A new approach to radial basis function approximation and its application to QSAR
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Future Medicinal Chemistry
|
October 24, 2012
Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Journal of Chemical Information and Modeling
|
February 7, 2012
PDB ligand conformational energies calculated quantum-mechanically
Markus Sitzmann, Iwona E Weidlich, Igor V Filippov, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Molecular Informatics
|
February 18, 2014
Comparing the Chemical Structure and Protein Content of ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database
Christopher Southan, Markus Sitzmann, Sorel Muresan
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2012
Mapping between databases of compounds and protein targets
Sorel Muresan, Markus Sitzmann, Christopher Southan
Journal of Chemical Information and Modeling
|
August 27, 2014
Enumeration of ring-chain tautomers based on SMIRKS rules
Laura Guasch, Markus Sitzmann, Marc C Nicklaus
Journal of Computer-Aided Molecular Design
|
June 1, 2010
Tautomerism in large databases
Markus Sitzmann, Wolf-Dietrich Ihlenfeldt, Marc C Nicklaus
Future Medicinal Chemistry
|
June 29, 2011
Software and resources for computational medicinal chemistry
Chenzhong Liao, Markus Sitzmann, Angelo Pugliese, et al.
Journal of Chemical Information and Modeling
|
February 15, 2014
QSAR modeling of imbalanced high-throughput screening data in PubChem
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Journal of Chemical Information and Modeling
|
January 24, 2014
A new approach to radial basis function approximation and its application to QSAR
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Future Medicinal Chemistry
|
October 24, 2012
Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes
Alexey V Zakharov, Megan L Peach, Markus Sitzmann, et al.
Journal of Chemical Information and Modeling
|
February 7, 2012
PDB ligand conformational energies calculated quantum-mechanically
Markus Sitzmann, Iwona E Weidlich, Igor V Filippov, et al.
Page
of 1