3rd party publications about products of Molecular Networks GmbH and Altamira LLC
Drug target prediction using chem- and bioinformatics
... Different programs, e.g. Corina ...
MetScore: Site of Metabolism Prediction Beyond CYP P450 Enzymes
... 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
... 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)
... 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
...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
... 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
... 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
... the synthetic accessibility was measured ... by using the SYLVIA-XT 1.4 ...
Novel carbamate derivatives as selective butyrylcholinesterase inhibitors
... All compounds used in docking were converted from 2D to 3D using Corina ...
Creating an efficient screening model for TRPV1 agonists using conformal prediction
... 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
... The structures were ... converted to 3D using Corina ...
Interaction of curcumin with different target proteins of Alzheimer's disease: docking and MD simulation studies
... Corina 3D Structure Generator ...
Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives
... All compounds were prepared using ... CORINA ...
Virtual Exploration of the Ring Systems Chemical Universe
... 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
... 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
... 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
... 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)
... 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
... The 3D structures were prepared and generated by ... CORINA ...
Combination of multiple neural crest migration assays to identify environmental toxicants from a proof-of-concept chemical library
... and converted to 3D using Corina version 3.4 ...