New York, USA – November 26, 2021 – CD ComputaBio, a reliable computational biology service provider located in New York, is always hammering away at research and trials in order to provide customers with access to the latest software, technologies, and expertise at a competitive price and fast turnaround time. Recently, the company announced the launch of QM/MM simulation service to accelerate your drug discovery research.
Computer-aided drug discovery (CADD) is a comprehensive platform for new drug research and development that integrates multiple computer applications. It is mainly used in the early pre-clinical research of small molecule drug development, including the screening of active compounds, lead compound optimization, and different stages of clinical drug candidate development. In recent years, due to the rapid development of information technology and breakthroughs in computational chemistry, more and more new drug compounds have been discovered through the use of reasonable drug design strategies.
The results of a recent survey and research show that the use of computer-aided drug discovery (CADD) services can save nearly 30% of the cost and time of new drug development. With the in-depth application of artificial intelligence and cloud computing, it is foreseeable that computer-aided drug discovery (CADD) will play a greater role in new drug research and development projects in the future, improving research and development efficiency and further reducing high research and development costs.
“CD ComputaBio provides customers with comprehensive CADD services and supports integrated new drug discovery projects. Various CADD methods, such as the most advanced QM/MM simulation service, molecular docking, homologous protein modeling, three-dimensional pharmacophore models, and ligand-based quantitative structure-activity relationship (QSAR) methods, etc., were integrated and used by the CD ComputaBio team in the integrated new drug R&D project, successfully advancing the drug discovery project to the pre-clinical drug candidate screening stage.” Said CD ComputaBio’s Senior Scientist.
Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations have become a popular tool for investigating chemical reactions in condensed phases. In QM/MM methods, the region of the system in which the chemical process takes place is treated at an appropriate level of quantum chemistry theory, while the remainder is described by a molecular mechanics force field. Within this approach, chemical reactivity can be studied in large systems, such as enzymes. Using quality management to calculate the properties of a large chemical library is time-consuming and costly. High-precision QM/MM calculation is a multi-scale calculation method to study ligand binding. By using quantum chemistry representing ligands combined with molecular mechanics to characterize proteins and solvents, modeling time can be greatly reduced.
“Our QM/MM simulation service can reduce the cost of later experiments. It is a personalized and customized innovative scientific research service. Before determining the corresponding analysis plan and price, each project needs to be evaluated,” said the Product Manager of CD ComputaBio.
About CD ComputaBio
With years of experience, CD ComputaBio can provide customers with professional computational biology services. Utilizing rich experience and powerful technology in computational science, the company can provide customers with many computational biology analysis services such as molecular dynamics simulation, drug design, virtual screening, quantum chemical calculations, etc.