News

VeraChem’s protein-ligand binding free energy software VM2 used in study of ligand binding to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT)

VeraChem’s protein-ligand binding free energy software VM2 used in the study “Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design”, PLoS Comput Biol 12(8): e1005057. DOI:10.1371/journal.pcbi.1005057

VeraChem’s development team present the VM2 protein-ligand binding free energy method at Janssen Pharmaceutical

VeraChem’s development team carry out a presentation of the VM2 protein-ligand binding free energy method at Janssen Pharmaceutical, and make agreement for trial usage of the VM2 software package.

VeraChem’s development team carry out presentation of the VM2 protein-ligand binding free energy method at Dart NeuroScience

VeraChem’s development team carry out a presentation of the VM2 protein-ligand binding free energy method at Dart NeuroScience LLC, and make agreement for trial usage of the VM2 software package.

VeraChem’s CSO gives invited presentation at the Advanced Biomedical Computing Center

Invited presentation titled “VM2 Methodology and Software for Calculation of Binding Free Energies: Application to Protein-Ligand and Host-Guest Systems” given by Dr. Simon Webb at the Advanced Biomedical Computing Center, SAIC-Frederick.

VeraChem software now licensed to over 500 academic researchers worldwide

VeraChem’s software now licensed to over 500 academic researchers worldwide.

VeraChem’s protein-ligand binding affinity software VM2 applied to the study of p38a MAP kinase

VeraChem’s protein-ligand binding affinity prediction software package VM2 applied to the study of p38a MAP kinase. “Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes”, Biophysical Journal 103(2): 342-351. DOI: 10.1016/j.bpj.2012.05.046

VeraChem awarded patent for its end-point binding free energy method VM2

VeraChem has been awarded a patent for its end-point free-energy method VM2.  USPTO 8,140,268

Virtual screening application ReverseScreen3D using VeraChem’s VConf for generation of 3D ligand conformations

Prof. Richard Jackson’s group at the University of Leeds has released a Web based virtual screening application ReverseScreen3D, which uses VeraChem’s VConf package for 3D ligand conformer generation: “Vconf (v2.0 from VeraChem), which uses a stochastic method for conformer searching, was chosen because it has been shown to be highly effective at reproducing bioactive conformations.” Kinnings, S. L. and R. M. Jackson (2011). “ReverseScreen3D: A Structure-Based Ligand Matching Method To identify Protein Targets. “Journal of Chemical Information and Modeling 51(3): 624-634. DOI: 10.1021/ci1003174

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NIH awards VeraChem Phase II SBIR funding for VM2 parallelization

Phase I milestones successfully completed, NIH awards VeraChem Phase II funding for the SBIR titled, “Multilevel Parallelization of Software for Accurate Protein-Ligand Affinities.”

Paper describing VeraChem’s protein-ligand binding affinity software VM2 published

Paper describing VeraChem’s protein-ligand binding affinity method VM2 published. “Modeling Protein-Ligand Binding by Mining Minima”, Journal of Chemical Theory and Computation 6(11): 3540-3557. DOI: 10.1021/ct100245n