3rd party publications about products of Molecular Networks GmbH and Altamira LLC
Machine Learning, Quantum Chemistry, and Chemical Space
... Initial Cartesian coordinates were obtained using the program CORINA ...
Atypical profiles and modulations of heme-enzymes catalyzed outcomes by low amounts of diverse additives suggest diffusible radicals' obligatory involvement in such redox reactions
... and converted to 3D format using the online tool CORINA ...
A novel binding mode reveals two distinct classes of NMDA receptor GluN2B-selective antagonists
... and then converted to 3D using Corina ...
Computational Fragment-Based Drug Design
... functions to evaluate the synthesizability of the generated molecules (eg, SYLVIA) ...
Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation - Structure-Based Hit Evaluation and Chemistry Exploration
... 3D models were generated by using CORINA ...
Fragment-based Drug Discovery: Lessons and Outlook
... which can be expanded to stereoisomers using the 3D generator CORINA ... ... 3D coordinates of the selected compounds were generated using CORINA ...
Combining the Pharmacophore Features of Coumarins and 1,4-Substituted 1,2,3-Triazoles to Design New Acetylcholinesterase Inhibitors: Fast and Easy Generation of 4-Methylcoumarins/1,2,3-triazoles Conjugates via Click Chemistry
... The tridimensional structures of compounds were built using the on-line version of Corina ...
Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout
... Conformations were generated with Corina version 3.49 ...
Structure-based exploration of sevoflurane binding sites in cognition-related synaptotagmin-1
... 3D conformation of sevoflurane was converted from its 2D structure using CORINA program ...
Simple and efficient synthesis of 5′-aryl-5′-deoxyguanosine analogs by azide-alkyne click reaction and their antileishmanial activities
... The 3D coordinates of the compounds 18–31 were generated using CORINA ...
Discovery of potential ALK inhibitors by virtual screening approach
... and submitted to CORINA for constructing the 3D structure of molecule ...
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign
... 3D conformations of all small molecules were generated using the CORINA software ...
Selection of effective and highly thermostable Bacillus subtilis lipase A template as an industrial biocatalyst-A modern computational approach
... and 3D structure of the substrate was generated using CORINA ...
High-quality and universal empirical atomic charges for chemoinformatics applications
... and their 3D structures were generated with CORINA 3.60 ...
Better Informed Distance Geometry: Using What We Know to Improve Conformation Generation
... Examples for rule/knowledge-based approaches are Corina ...
Toward a unifying strategy for the structure-based prediction of toxicological endpoints
... When necessary, 3D structures were generated using CORINA 2.4 ...
In Silico Medicinal Chemistry: Computational Methods to Support Drug Design
CORINA is mentioned on pages 66, 77, 146, 208
Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification Models.
... 3D structures were generated using CORINA (version 3.4) ...
Molecular Dynamics Simulation Approach to Understand Lamivudine Resistance in Hepatitis B Virus Polymerase
... and submitted to CORINA for constructing the 3D structure of ...
Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method
... only the lowest energy conformer generated by CORINA was ...