VM2 users with access to Chemical Computing Group’s (CCG) Molecular Operating Environment (MOE) graphical interface can now analyze VM2 binding free energy results using a MOE SVL plugin. Download the VM2 MOE plugin from the CCG SVL Exchange.
VM2 3.0 includes an end-to-end workflow capability that automates system setup and forcefield typing/parameter assignment, ligand 2D to 3D conversion, generation of initial receptor-ligand conformations, submission of free energy calculations via resource managers, and collection and organization of final binding free energy results. Extensive benchmarking of VM2 3.0 predicted binding free...
Professor Mike Gilson, co-founder of VeraChem, talks about our VM2 software for fast, accurate calculation of protein-ligand binding free energies, including mining minima theory, implementation, benchmarks, and directions. See Professor Gilson’s presentation here.
QM-VM2, which efficiently combines statistical mechanics with quantum mechanical (QM) energy potentials in order to calculate noncovalent binding free energies of host–guest systems, is presented. QM-VM2 efficiently couples the use of semi-empirical QM (SEQM) energies and geometry optimizations with an underlying molecular mechanics (MM) based conformational search, to find low...
VeraChem has released a linux version of their freely available small molecule tools. The tools are distributed as a bundle of stand-alone executable programs, which do not require any installation. Please see any of the product pages for download instructions.
VeraChem LLC is pleased to announce the availability of our VM2 software package and related tutorials pre-installed in an Amazon Machine Image on AWS. This AMI is a default install and configuration of the VM2 package and will be particularly useful as an example for those wishing to install the...
VeraChem LLC is pleased to announce that we now support our VM2 application on AMD processors. We have an AMD optimized package available for download, please just specify the AMD version in your request.
Release of VM2 version 2.8 includes improved multi-GPU support, CloudVM2 support of Google Cloud Platform in addition to AWS, new algorithms for VM2 free energy calculations for ligands with unknown pose, fast-VM2 (30 minute free energies) for ligand series where a scaffold pose is known. Request a license for VM2...
VeraChem has developed a capability to run its protein-ligand binding free energy software package on the Amazon Web Services cloud environment. This CloudVM2 package enables calculation of protein-ligand binding affinities for hundreds of ligands per day, and was recently applied in early stage R&D efforts by Sarfez Pharmaceuticals Inc.
VeraChem’s state of the art computational chemistry software is capable of protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork distort-minimize algorithm, and automatic detection of topological and 3D molecular symmetries.
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