コンフレックス List of Products and Services

We would like to introduce CONFLUX's "Technical Support / Workshops." To efficiently utilize computational science software, specialized knowledge and experience are essential. Our "Technical Support" can address a wide range of inquiries thanks to our extensive support experience over many years. Additionally, we offer "Workshops" that can be customized to fit your research themes, ranging from beginner content to advanced applications. These can be conducted in a hands-on format using one PC per person or in a lecture format. 【Technical Support: Supported Software】 ■CONFLEX & Interface ■Gaussian & GaussView ■Amber & AmberTools *For more details, please refer to the PDF materials or feel free to contact us.

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In CONFlex's "Contract Calculation Service," we conduct conformation searches using the CONFLEX method, which applies our uniquely developed sequence-based conformation generation algorithm and parallel computing system. We thoroughly investigate all possible conformational isomers and can identify stable conformations. Furthermore, using high-precision methods such as ab initio calculations, it is also possible to perform predictive calculations for energy and various spectral properties, as well as other physical property values required by our customers for each explored conformational isomer. 【Features】 ■ Conformation searches using the CONFLEX method ■ Thorough investigation of all possible conformational isomers to identify stable conformations ■ Ability to perform predictive calculations for physical property values required by customers ■ Possibility to gain various insights into the behavior of biomolecules *For more details, please refer to the PDF document or feel free to contact us.

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"CONFLEX 9" is a conformation search and crystal structure search program that explores the conformational space of flexible molecules and can reliably find the optimized structures of chemically important conformational isomers. By generating practically meaningful stable conformational isomers, it achieves efficient exploration of conformational space. Additionally, by inputting molecular structure data and the symmetry of space groups, it automatically creates crystal structures and performs structure optimization, comprehensively calculating crystal structures located at energy minima. [Features] - Explores the conformational space of flexible molecules - Can reliably find the optimized structures of chemically important conformational isomers - Allows for partial fixation of structures during optimization - Enables calculation of CD/UV/Vis spectra for the obtained conformational isomers - Can automatically calculate LogP values *For more details, please refer to the PDF document or feel free to contact us.

• others

"Gaussian 16" is an electronic structure program based on the fundamental laws of quantum science, capable of predicting molecular structures, various molecular properties, energies, and vibrational frequencies of systems. It can perform calculations ranging from force field calculations to semi-empirical molecular orbital calculations. New modeling capabilities, such as TD-DFT analytical second derivatives, as well as computational performance and usability have been enhanced. 【Features】 ■ Predicts energy, molecular structures, and vibrational frequencies of molecular systems ■ Applicable to compounds such as short-lived intermediates and transition state structures ■ Usable for the study of molecules and reactions under a wide range of conditions ■ New modeling capabilities (such as TD-DFT analytical second derivatives) ■ Enhanced computational performance *For more details, please refer to the PDF document or feel free to contact us.

• others

"Amber" is a package developed for biomolecules, encompassing modeling, molecular mechanics, and dynamic calculation simulation. In modeling, numerous modules are provided to construct structures using data from nucleic acids and amino acids, as well as to arrange solvent water molecules and neutralize the system. It is also possible to refine NMR structures using experimental data. 【Features】 ■ Numerous modules for arranging solvent water molecules and neutralizing the system ■ Capability to refine NMR structures ■ Tools available for analyzing trajectories of dynamic calculations *For more details, please refer to the PDF materials or feel free to contact us.

• Contract Analysis