Molecular Structure Analysis and Modeling for Drug Discovery: 'CrystalMaker'
A visualization tool for crystal structures and molecular structures that accelerates drug discovery research.
In the drug discovery industry, understanding the structure and function of compounds is essential for new drug development. In particular, accurate visualization of molecular structures aids in predicting drug efficacy and identifying drug discovery targets. CrystalMaker supports structural analysis in drug discovery research through molecular structure modeling and crystal structure construction. 【Use Cases】 - Structural analysis of drug discovery targets - Molecular structure modeling of compounds - Drug efficacy prediction through crystal structure visualization 【Benefits of Implementation】 - Increased efficiency in drug discovery research - Shortened new drug development timelines - Improved research outcomes
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【Features】 - Efficient construction and visualization of crystal and molecular structures - Dynamic manipulation and animation creation - Structural optimization through energy modeling - Modeling of molecular structures and calculation of vibrational modes - Simulation of powder and single crystal diffraction patterns 【Our Strengths】 Even in a rapidly changing world, we support intellectual creation and contribute to the improvement of comfort and productivity. We assist your drug discovery research through the sale and support of research and development software.
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Force field approach using DFT-calibrated parameterized potentials: You can leverage all the benefits of DFT in real-time on your laptop, even for large systems. Smart selection of potentials based on bonding environments: No additional user input is required. Monte Carlo method: Structures that are far from equilibrium, such as those with excessively long bond lengths or highly distorted bond angles created by hand, can be relaxed. Addition of hybrid least-squares cycles: Improves the accuracy of the final stage of refinement. Energy output: You can display the process and results of the refinement cycles in graphic format using menu commands. Calculation of vibrational modes: Vibrational frequencies of crystals (phonons) and molecules. For molecules, infrared spectra can be simulated.
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Even in a rapidly changing world, the philosophy of HuLinks has not changed since its founding. The greatness of humanity lies in our ability to think, create, and carve out a new tomorrow. We aim to contribute to society by providing carefully selected solutions that support this remarkable human ability—intellectual creation—while also offering a more comfortable environment and enhancing productivity.