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

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 ...

Better Informed Distance Geometry: Using What We Know to Improve Conformation Generation

Tue, 11/17/2015 - 11:00
... Examples for rule/knowledge-based approaches are Corina ...

Toward a unifying strategy for the structure-based prediction of toxicological endpoints

Mon, 11/09/2015 - 11:00
... When necessary, 3D structures were generated using CORINA 2.4 ...

In Silico Medicinal Chemistry: Computational Methods to Support Drug Design

Mon, 11/02/2015 - 11:00
CORINA is mentioned on pages 66, 77, 146, 208

Molecular Dynamics Simulation Approach to Understand Lamivudine Resistance in Hepatitis B Virus Polymerase

Fri, 10/30/2015 - 11:00
... and submitted to CORINA for constructing the 3D structure of ...

Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method

Mon, 10/12/2015 - 11:00
... only the lowest energy conformer generated by CORINA was ...

The Quantum Chemical Search for Novel Materials and the Issue of Data Processing: The InfoMol Project

Fri, 10/09/2015 - 11:00
... A second set of structures was obtained using the 3D structure generator software CORINA frequently used in drug design to obtain the (Cartesian) atomic coordinates of a molecule ...

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

Wed, 09/30/2015 - 11:00
CORINA is listed in Table 1 - Conformation sampling methods