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

Biological Membranes in Extreme Conditions: Simulations of Anionic Archaeal Tetraether Lipid Membranes

Wed, 05/11/2016 - 11:00
... This structure was then converted into 3D by means of the CORINA software ...

An improved model for fragment-based lead generation at AstraZeneca

Wed, 05/11/2016 - 11:00
... we used 3D coordinates of molecules as generated by CORINA ...

Exploration of Structural and Functional Variations Owing to Point Mutations in alpha-NAGA

Mon, 05/02/2016 - 11:00
... of the substrate was generated through CORINA 3D ...

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model

Wed, 04/27/2016 - 11:00
... The 3D structure representation was generated using CORINA ...

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

Tue, 04/05/2016 - 11:00
... 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

Fri, 03/25/2016 - 11:00
... molecules were then processed with CORINA program to construct 3D atomic coordinates...

Machine Learning, Quantum Chemistry, and Chemical Space

Fri, 03/18/2016 - 11:00
... Initial Cartesian coordinates were obtained using the program CORINA ...

A novel binding mode reveals two distinct classes of NMDA receptor GluN2B-selective antagonists

Wed, 02/24/2016 - 11:00
... and then converted to 3D using Corina ...

Computational Fragment-Based Drug Design

Wed, 02/10/2016 - 11:00
... functions to evaluate the synthesizability of the generated molecules (eg, SYLVIA) ...

Fragment-based Drug Discovery: Lessons and Outlook

Mon, 02/01/2016 - 11:00
... which can be expanded to stereoisomers using the 3D generator CORINA ... ... 3D coordinates of the selected compounds were generated using CORINA ...

Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout

Mon, 02/01/2016 - 11:00
... Conformations were generated with Corina version 3.49 ...

Structure-based exploration of sevoflurane binding sites in cognition-related synaptotagmin-1

Thu, 01/28/2016 - 11:00
... 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

Mon, 01/11/2016 - 11:00
... The 3D coordinates of the compounds 18–31 were generated using CORINA ...

Discovery of potential ALK inhibitors by virtual screening approach

Sat, 01/09/2016 - 11:00
... and submitted to CORINA for constructing the 3D structure of molecule ...

Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign

Thu, 12/31/2015 - 11:00
... 3D conformations of all small molecules were generated using the CORINA software ...

High-quality and universal empirical atomic charges for chemoinformatics applications

Wed, 12/02/2015 - 11:00
... and their 3D structures were generated with CORINA 3.60 ...