QuantumBio Announces the Release of DivCon Discovery Suite 2.1.5 for Lead Optimization
Use Linear-Scaling Quantum Mechanics in DivCon Discovery Suite 2.1.5 to Study Metallic Protease and to Perform Lead Optimization
STATE COLLEGE, PA -- QuantumBio Inc., a leader in providing a next generation of Computer Assisted Drug Design (CADD) and Computer Assisted Molecular Modeling (CAMM) solutions, has announced the release of DivCon Discovery Suite 2.1.5. DivCon Discovery Suite is currently available on two platforms: Linux and Mac OS X.
QuantumBio's DivCon Discovery Suite provides pharmaceutical and biotech companies with the ability to significantly improve accuracy during the lead optimization stage of the drug discovery process. Scientists can harness the power of the divide & conquer linear-scaling semi-empirical quantum mechanics algorithms in the DivCon Discovery Suite to analyze the atomic interactions of large biomolecules consist of several thousand atoms and small molecules.
The linear-scaling divide & conquer algorithm in the DivCon Discovery Suite makes running traditionally computationally intensive quantum chemistry calculations on large biological molecules routine." said Dr. Kenneth M. Merz, Chief Scientific Officer and Chief Executive Officer of QuantumBio Inc. QuantumBio is committed to accelerating drug discovery efforts by providing the next generation of computer assisted molecular modeling (CAMM) tools that are more accurate than current generation approaches. We are collaborating with drug discovery companies and organizations through the application of our powerful divide & conquer linear-scaling algorithm to assist them in examinations of protein-ligand interaction at levels of accuracy heretofore impossible."
DivCon Discovery Suite 2.1.5 has the following five modules to study protein-ligand binding affinities and to perform lead optimization studies:
DivCon_General -- enables researchers to use semiempirical Hamiltonians AM1, PM3, MNDO, MNDO/d and the divide & conquer linear-scaling algorithm to perform geometry optimization, transition state search, energy minimization, etc.
QM_Score -- provides an accurate divide & conquer linear-scaling semiempirical QM based scoring function to understand protein-ligand binding affinities.
QM_Sol -- enables researchers to use the divide & conquer linear-scaling semiempirical QM approach to determine solvation free energies, LogP, atomic point charges (CM1, CM2), and electrostatic potentials of small and large molecules.
QM_PWD -- provides the Pair-Wise Energy Decomposition interaction energy between two molecules (such as a protein and a ligand) at the semiempirical level of quantum mechanics.
QM_Elec -- enables researchers to use the divide & conquer linear-scaling semiempirical QM approach to determine atomic point charges and the electrostatic potentials of biomolecules.
About QuantumBio Inc.
QuantumBio is a leader in providing a next generation of Computer Assisted Drug Design (CADD) and Computer Assisted Molecular Modeling (CAMM) solutions to Pharmaceutical, Biotech, Materials and Nanotechnology companies. QuantumBio is working with leading pharmaceutical, biotech companies, government and academic research organizations. For further information about QuantumBio Inc., please visit our website at www.QuantumBioInc.com
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