3rd party publications about products of Molecular Networks GmbH and Altamira LLC
Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes
... This structure was then converted into 3D by means of the CORINA software ...
An improved model for fragment-based lead generation at AstraZeneca
... we used 3D coordinates of molecules as generated by CORINA ...
Exploration of Structural and Functional Variations Owing to Point Mutations in alpha-NAGA
... of the substrate was generated through CORINA 3D ...
ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model
... The 3D structure representation was generated using CORINA ...
Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop
... ideal coordinates are obtained from the software tools Corina ...
Discovery of low micromolar dual inhibitors for wild type and L1196M mutant of anaplastic lymphoma kinase through the structure-based virtual screening
... molecules were then processed with CORINA program to construct 3D atomic coordinates...
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 ...