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

A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening

Mon, 01/28/2019 - 11:00
... coordinates for each structure initially using CORINA ...

Identification of enzyme(s) capable of degrading endosulfan and endosulfan sulfate using in silico techniques

Fri, 01/04/2019 - 11:00
... and their three-dimensional structures were generated using CORINA ...

SAR study on inhibitors of GIIA secreted phospholipase A2 using machine learning methods

Sun, 12/23/2018 - 11:00
... The molecules were represented by CORINA descriptors ...

Drug target prediction using chem- and bioinformatics

Sat, 11/24/2018 - 11:00
... Different programs, e.g. Corina ...

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 ...

Comparative analysis of machine learning based QSAR models and molecular docking studies to screen potential anti-tubercular inhibitors against InhA of mycobacterium tuberculosis

Fri, 08/31/2018 - 11:00
... the datasets were subjected to Corina software for conversion of SMILE format into 3D SDF format ...

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

Tue, 08/14/2018 - 11:00
... These chemical libraries were 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 ...

(Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks

Sat, 06/23/2018 - 11:00
... ChemTunes ToxGPS (Altamira LLC and Molecular Networks GmbH) ...

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 ...

GP and NPC1 Targeted Herbal Compound - An in Silico Evidence for Ebola Drugs

Wed, 12/13/2017 - 11:00
... and their three dimensional structures were generated by 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 ...