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

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 ...

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015

Fri, 09/16/2016 - 11:00
... Briefly, Corina 3.4 was used to generate three-dimensional structures, ...

NLDB: a database for 3D protein–ligand interactions in enzymatic reactions

Tue, 08/16/2016 - 11:00
... the ideal coordinates of compounds, computed with the CORINA program, ...

Validation of Anti-Tuberculosis Activity and Identification of Leads in Alstonia scholaris L.(R. Br.)

Mon, 08/08/2016 - 11:00
... The 3D structures in .pdb format of all phytochemicals were generated using the tool CORINA ...

Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes

Sat, 07/30/2016 - 11:00
... three-dimensional conformation was generated for each structure using Corina version 3.60 ...

Norovirus drug candidates that inhibit viral capsid attachment to human histo-blood group antigens

Wed, 07/13/2016 - 11:00
... The compounds were also assessed using the programme SYLVIA ... to estimate the synthetic accessibility ...

In vitro and in silico analysis of the vascular effects of asymmetrical N,N-bis(alkanol)amine aryl esters, novel multidrug resistance-reverting agents

Tue, 06/28/2016 - 11:00
... while the other three ligands were constructed using Interactive 3D Structure Generation with CORINA ...

Molecular descriptor data explain market prices of a large commercial chemical compound library

Thu, 06/23/2016 - 11:00
... The synthetic accessibility scores ... were calculated using SYLVIA version 1.4 ...

Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase - a potential target to reduce Fusarium head blight disease

Tue, 06/21/2016 - 11:00
... The 3D structures of all molecules were obtained using CORINA software ...

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-Coupled Receptor

Mon, 06/13/2016 - 11:00
... ligand conformations were generated by CORINA ...

Systematic N-Methylation of Oxytocin: Impact on Pharmacology and Intramolecular Hydrogen Bonding Network

Tue, 05/31/2016 - 11:00
... The initial 3D coordinates were generated using CORINA ...

Methyl Protodioscin, a Steroidal Saponin, Inhibits Neointima Formation in Vitro and in Vivo

Thu, 05/26/2016 - 11:00
... The compound structure of 1 was generated using the CORINA software ...

UNICON: A Powerful and Easy-to-Use Compound Library Converter

Thu, 05/26/2016 - 11:00
... Early approaches for 3D structure generation are ..., CORINA, and ...

Management of crizotinib resistance in lung cancer using traditional plant source: An in silico strategies.

Sat, 05/14/2016 - 11:00
... the lead compounds were collected from PubChem and submitted to CORINA for developing ...