By adopting a coarse-grained model and a four-body potential, we significantly reduce computational costs and achieve fast evaluations.
CONFLEX DOCK is a docking simulation program that predicts where a specified peptide chain will position itself and form a complex with the target protein. It coarse-grains the protein and peptide by amino acid residues and evaluates the affinity between the protein and peptide using a four-body potential. The target protein is coarse-grained with the Cα atoms of the amino acid residues as representative points, and exploration points are placed on its surface. Amino acids are arranged according to the sequence of the peptide at the exploration points, and scores are evaluated using the four-body potential.
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Single Machine License Site License Single Core Version Parallel Version Windows, macOS, Linux
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We will provide detailed explanations and demonstrations either online or by visiting your company. A trial version is also available for use for two weeks. Please feel free to contact us.
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We develop, sell, and support the software CONFLEX for conformational exploration and crystal structure exploration. Additionally, as a sales agent for Gaussian, we sell and support the quantum chemistry calculation software Gaussian and GaussView. As a sales agent for UCSF, we sell and support the molecular dynamics calculation software Amber. We also sell and support ChemDraw as a sales agent for Revvity. We also offer workshops, contract calculations, and provide and install computational chemistry hardware. With our extensive delivery track record, we ensure reliable and careful support. Please feel free to contact us with any requests.
