Molecular

Chemical Computing Group Inc. (CCG) announced the general release of the 2022.02 version of the Molecular Operating Environment (MOE). The 2022.02 release contains new technologies for scFv and Custom Antibody Homology Models, GPU-Acceleration, Hydrogen Mass Repartitioning and also Database Viewer Enhancements.

Chemical Computing Group Inc. (CCG) announced the general release of the 2022.02 version of the Molecular Operating Environment (MOE). The 2022.02 release contains new technologies for scFv and Custom Antibody Homology Models, GPU-Acceleration, Hydrogen Mass Repartitioning and also Database Viewer Enhancements.

Molecular Operating Environment (MOE) provides a suite of applications for manipulating and analyzing large collections of compounds. It is a fully integrated suite of computational chemistry, molecular modeling and informatics software for life science applications. The suite's applications are written in an embedded programming language, Scientific Vector Language (SVL),and can be easily customized since the SVL source code is provided in the distribution.

Chemical Computing Group (CCG) is pleased to announce the release of MOE 2019.01 is a leading drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. This release includes a variety of new features, enhancements and changes.

Chemical Computing Group has presented the 2015 release of the Molecular Operating Environment (MOE). The 2015.10 version of MOE contains user interface enhancements for protein modeling and new scientific applications for computer-aided molecular design.

OLIGO Primer Analysis Software is the essential tool for designing and analyzing sequencing and PCR primers, synthetic genes, and various kinds of probes including siRNA and molecular beacons. Based on the most up-to date nearest neighbor thermodynamic data, Oligo's search algorithms find optimal primers for PCR, including TaqMan, highly multiplexed, consensus or degenerate primers. Multiple file batch processing is possible. It is also an invaluable tool for site directed mutagenesis.

The pharmacokinetic behaviour of compounds is linked to their efficacy and thus is critical for drug discovery Understanding how to optimise compounds according to multiple simultaneous criteria is a great advantage in focusing design efforts VolSurf+ creates 128 molecular descriptors from 3D Molecular Interaction Fields (MIFs) produced by our
software GRID, which are particularly relevant to ADME prediction and are also simple to interpret. One example would be the interaction energy moment descriptor between
hydrophobic and hydrophilic regions, which is important for membrane permeability prediction. These can then be used with provided chemometric tools to build statistical models

Pentacle is an advanced software tool for obtaining alignment-independent 3D quantitative structure-activity relationships. The program starts from a set of structures, computing highly relevant 3D maps of interaction energies between the molecule and chemical probes (GRID based Molecular Interaction Fields, or MIFs). Pentacle automatically encodes these maps into GRID Independent Descriptors (GRIND and GRIND2 descriptors), which are independent of the alignment of the series, thus bypassing one of the most time-consuming aspects of traditional 3D QSAR.

OLIGO Primer Analysis Software is the essential tool for designing and analyzing sequencing and PCR primers, synthetic genes, and various kinds of probes including siRNA and molecular beacons. Based on the most up-to date nearest neighbor thermodynamic data, Oligo's search algorithms find optimal primers for PCR, including TaqMan, highly multiplexed, consensus or degenerate primers. Multiple file batch processing is possible. It is also an invaluable tool for site directed mutagenesis.