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3rd party publications about products of Molecular Networks GmbH and Altamira LLC

Study of Structure-Active Relationship for Inhibitors of HIV-1 Integrase LEDGF/p75 Interaction by Machine Learning Methods

Tue, 02/28/2017 - 11:00
... CORINA Symphony is a cheminformatics application ...

Structural Bioinformatics Tools for Drug Desgin

Wed, 02/22/2017 - 11:00
... structures generated by structure generators such as CORINA ...

Curated human hyperbilirubinemia data and the respective OATP1B1 and 1B3 inhibition predictions

Fri, 02/10/2017 - 11:00
... 3D structures were generated using CORINA ...

Classification of nervous system withdrawn and approved drugs with ToxPrint features via machine learning strategies

Wed, 02/08/2017 - 11:00
... 760 features computed by CORINA Symphony program were presented ...

Cysteine-Based 3-Substituted 1,5-Benzoxathiepin Derivatives: Two New Classes of Anti-proliferative Agents

Mon, 01/30/2017 - 11:00
... Three-dimensional structures of the compounds were initially built using the on-line version of Corina ...

The Performance of Several Docking Programs at Reproducing Protein-Macrolide-Like Crystal Structures

Tue, 01/17/2017 - 11:00
... 3D structures were generated with Corina ...

MraY-antibiotic complex reveals details of tunicamycin mode of action

Mon, 01/09/2017 - 11:00
... was created from 2D SMILES strings by using CORINA ...

High-throughput screening of chemicals as functional substitutes using structure-based classification models

Tue, 12/20/2016 - 11:00
... SMILES strings were used as input into the ChemoTyper application to obtain ToxPrint descriptors ...

Computational chemistry at Janssen

Mon, 12/19/2016 - 11:00
... These include ... SYLVIA ...

Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening

Fri, 10/21/2016 - 11:00
... 5720 compounds, which were submitted for conformer generation and protonation (pH 7.0) by CORINA ...

Debunking the Idea that Ligand Efficiency Indices Are Superior to pIC50 as QSAR Activities

Fri, 10/21/2016 - 11:00
... we calculate the polar surface area of a single conformer of each molecule produced by CORINA ...

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

Mon, 10/17/2016 - 11:00
... ideal coordinates generated by CORINA ...

Computational methods for prediction of in vitro effects of new chemical structures

Thu, 09/29/2016 - 11:00
... ToxPrint fingerprints were generated using the ChemoTyper software ...

Computer-aided drug design at Boehringer Ingelheim

Tue, 09/20/2016 - 11:00
... and optionally, a 2D-3D conversion step using CORINA ...

Exploration of plant bioactive from Cassia Fistula leaves for the treatment of ovarian cancer: an integrative approach

Tue, 09/20/2016 - 11:00
... and submitted to CORINA for deducing the 3D structure of compounds ...