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

MetScore: Site of Metabolism Prediction Beyond CYP P450 Enzymes

Wed, 09/05/2018 - 11:00
... For all molecules, single 3D conformers were created with CORINA ...

In silico identification of inhibitors against Plasmodium falciparum histone deacetylase 1 (PfHDAC-1)

Tue, 08/14/2018 - 11:00
... These chemical libraries wre first processed using CORINA v2.64 software package ...

Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening

Tue, 08/14/2018 - 11:00
...The Corina program ... was then used to generate 3D conformations for these standardized ...

Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays

Wed, 04/18/2018 - 11:00
... structures were obtained using CORINA ...

Comparing the performance of meta-classifiers - a case study on selected imbalanced data sets relevant for prediction of liver toxicity

Fri, 04/06/2018 - 11:00
... 3D structures were then generated using CORINA (version 3.4) ...

Virtual screening, Docking, ADMET and System Pharmacology studies on Garcinia caged Xanthone derivatives for Anticancer activity

Tue, 04/03/2018 - 11:00
... the synthetic accessibility was measured ... by using the SYLVIA-XT 1.4 ...

Novel carbamate derivatives as selective butyrylcholinesterase inhibitors

Sat, 03/03/2018 - 11:00
... All compounds used in docking were converted from 2D to 3D using Corina ...

Creating an efficient screening model for TRPV1 agonists using conformal prediction

Wed, 02/21/2018 - 11:00
... structures were neutralized and salts removed using the CORINA 3D molecular model program ...

A high-throughput approach to identify specific neurotoxicants/developmental toxicants in human neuronal cell function assays

Sun, 01/21/2018 - 11:00
... The structures were ... converted to 3D using Corina ...

Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives

Mon, 10/16/2017 - 11:00
... All compounds were prepared using ... CORINA ...

Virtual Exploration of the Ring Systems Chemical Universe

Wed, 10/11/2017 - 11:00
... We succeeded in converting 895,375 2D ring systems ... to 3D structures ... using the program CORINA ...

Hybrid approach to structure modeling of the histamine H3 receptor: Multi-level assessment as a tool for model verification

Thu, 10/05/2017 - 11:00
... The 3D structures of 7 reference ligands ... were created using Corina Online Demo ...

Evaluation of predictive models based on random forest, decision tree and support vector machine classifiers and virtual screening of anti-mycobacterial compounds

Thu, 08/03/2017 - 11:00
... the dataset of 9248 compounds was subjected to Corina software for conversion of SMILES format into 3D SDF format ...

Novel chemotypes targeting tubulin at the Colchicine Binding Site and unbiasing P-glycoprotein

Fri, 07/21/2017 - 11:00
... Each compound was submitted to CORINA to obtain a reliably minimized 3D structure ...

Enhanced immunostimulatory activity of in silico discovered agonists of Toll-like receptor 2 (TLR2)

Wed, 07/19/2017 - 11:00
... 3D structures of the ligands were previously generated with Corina 3.4 ...

Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination

Mon, 06/19/2017 - 11:00
... The 3D structures were prepared and generated by ... CORINA ...

A Computational Approach to Identify a Potential Alternative Drug with its Positive Impact Towards PMP22

Tue, 04/04/2017 - 11:00
... and provided as input to online CORINA server ... to generate 3D (.pdb) structure files ...

Modulation of Oral Bioavailability and Metabolism for Closely Related Cyclic Hexapeptides

Tue, 03/28/2017 - 11:00
... The initial 3-dimensional structures were generated using the program Corina ...