At CD ComputaBio, we are committed to driving innovation in drug discovery through powerful structure-based computational methods. Through advanced computational methods and high-performance computing resources, we accelerate the discovery and optimization process of lead compounds, accelerate the identification of therapeutically relevant compounds, while optimizing resource allocation and shortening time-to-market. https://cadd.computabio.co...

Molecular docking is an approach to drug design by characterizing the receptor and the mode of interaction between the receptor and the drug molecule. It is a theoretical modeling method that focuses on the study of intermolecular (e.g., ligand-receptor) interactions and the prediction of their binding modes and affinities. At CD ComputaBio, we offer a full suite of molecular docking services tailored to meet the diverse needs of our clients. Our expertise allows us to assist in the virtual screening, lead optimization, and drug design process, ultimately accelerating the drug discovery process. https://cadd.computabio.co...

First-principle calculations treat a system of multiple atoms as a system of multiple electrons and nuclei, and treat the problem with maximum "non-empiricality" according to the basic principles of quantum mechanics. It requires only five fundamental constants (m0, e, h, c, kB) to calculate the physical properties of the system, such as energy and electronic structure. It is a powerful tool for solving experimental theoretical problems and predicting the structural properties of new materials at this stage. Moreover, first principles calculations do not require real experiments to be carried out, which greatly saves experimental costs, and are now widely used in chemistry, physics, catalysis, environment, life sciences and materials. https://www.computabio.com...

At CD ComputaBio, we provide DOS calculation services for a wide range of systems, including molecules, nanoparticles, surfaces, and bulk materials. We use state-of-the-art software packages and algorithms to perform accurate and efficient DOS calculations for our customers. https://www.computabio.com...

At CD ComputaBio, we offer cutting-edge AI-assisted sensing element design services to companies across various industries. With our expert team of scientists and engineers, combined with state-of-the-art AI technology, we can help you develop high-performance sensing elements that meet your specific needs and requirements. Our AI-assisted sensing element design service is aimed at providing innovative solutions for companies looking to improve their sensing technologies for applications such as healthcare, environmental monitoring, and industrial processes. https://ai.computabio.com/...

At CD ComputaBio, we specialize in AI-assisted gene regulators design to facilitate the development of innovative gene therapies, targeted drug discovery, and precision medicine. Our cutting-edge technology harnesses the power of AI to accelerate the design of gene regulators, enabling our clients to make significant strides in the fields of biotechnology and pharmaceuticals. https://ai.computabio.com/...

CD ComputaBio provides corresponding protein structure modeling services. Our protein structure modeling service has proven to be very useful for understanding the biochemical basis of physiological events at different stages of drug development (even in different fields such as materials science). Our team of experts can provide accurate modeling of the system you choose, so you do not have to worry about technical issues. We can also analyze these results for you. CD ComputaBio team has been working in this field for more than ten years and has published his findings in top scientific journals. https://www.computabio.com...

Our goal is to provide computational PTM Site Prediction services to help study the corresponding effects on protein structure, kinetics and binding specificity. The results may enhance the understanding of the above-mentioned effects and functional results, promote the rational design of PTM regulation, and ultimately be used to inform structure-based therapeutic work for modified protein systems. We provide services in a completely customizable way to meet the specific requirements of customers. https://www.computabio.com...

CD ComputaBio's reverse docking is the primary method used in structure-based drug design. This technology is to place the ligand molecule in the position of the active site of the receptor molecule, and then in real time according to the principles of geometric complementation, energy complementation and chemical environment complementarity. We can evaluate how well the ligand interacts with the receptor and find the best binding mode between the two molecules. In drug design, the molecular docking method is mainly used to search for small molecules with good affinity with the receptor biomacromolecule from the small molecule database, and conduct pharmacological tests to discover new lead compounds. https://www.computabio.com...

At CD ComputaBio, we provide DOS calculation services for a wide range of systems, including molecules, nanoparticles, surfaces, and bulk materials. We use state-of-the-art software packages and algorithms to perform accurate and efficient DOS calculations for our customers. https://www.computabio.com...

Molecular property prediction is the task of predicting the properties of a molecule from its structure. Molecular property prediction based on computational chemistry can help predict several molecular properties and is important for scientific research and material discovery. important for scientific research and material discovery. CD ComputaBio can find the right and effective computational method for you. We can also help develop advanced algorithms for molecular property prediction that are very useful and time-saving, especially for predicting large numbers of molecules and thus accelerating drug discovery. https://www.computabio.com...

Drug discovery and development are intricate processes that traditionally involve numerous costly and time-consuming experimental steps. AI has emerged as a game-changer in this domain, offering a suite of tools and techniques that can significantly expedite the drug design process while reducing costs and enhancing success rates. AI-aided drug design leverages machine learning algorithms, deep learning models, molecular simulations, and big data analytics to streamline various stages of drug discovery, from target identification to lead optimization and pharmacokinetics evaluation. https://ai.computabio.com/...

"SARs has long been used to design chemicals with commercially desirable properties with expected pharmacologic and therapeutic activities. Moreover, computer-based modeling methods, as well as AI-driven approaches relating chemical structure to qualitative biological activity and quantitative biological potency have been widely applied in diverse problem settings. CD ComputaBio provides intelligent services of structure activity relationship analysis and development for our clients in different stage of drug discovery, especially for screening large numbers of chemicals and decision making during chemical optimization.

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CD ComputaBio specializes in cutting-edge solutions for enhancing antibody affinity and specificity, enabling researchers and scientists to achieve superior results in their experiments and assays. With advanced algorithms, innovative methods, and comprehensive services, we are your trusted partner for antibody affinity modification. https://www.computabio.com...

CD ComputaBio offers a comprehensive range of services designed to optimize polyclonal antibodies for a variety of applications. Our team of experienced scientists and bioinformaticians utilize state-of-the-art computational algorithms and advanced technologies to improve antibody specificity, affinity, and selectivity, ultimately enhancing antibody performance in a range of research and diagnostic applications. https://www.computabio.com...

CD ComputaBio is a leading global company providing compelling and novel solutions in computer-aided drug design. We prioritize the integration of our advanced computational capabilities with our extensive expertise in antibody drug design to offer a range of services. These services aim to accelerate drug discovery and development processes by providing our clients with meticulously tailored, reliable, accurate projections while ensuring time and cost-effectiveness. https://www.computabio.com...

Antibody homology modeling plays a critical role in the development of therapeutic antibodies, providing valuable information to understand their structure and function. Using computational techniques, we can accurately predict the 3D structure of antibodies, facilitating rational drug design, protein engineering, and lead drug optimization. At CD ComputaBio, we understand the importance of accuracy and reliability in antibody modeling, and we are committed to providing solutions tailored to your specific requirements. https://antibody-modeling....

At CD ComputaBio, we are committed to driving the boundaries of antibody modeling and design through the innovative application of computational methods. With our comprehensive suite of services, advanced algorithms, and unparalleled expertise, we stand as the premier partner for those seeking to revolutionize therapeutic antibody development. Join us in shaping the future of precision medicine through computational antibody design. https://antibody-modeling....

Network pharmacology analysis allows comparison of two or more drugs in terms of symptoms, side effects, and gene expression to determine similarities and differences between drugs and provide new ideas for drug repositioning. In summary, we can use AI methods and technologies to test the similarity of drugs for the same disease in various ways. Our in silico drug repositioning platform represents an alternative and complementary approach for drug discovery. https://ai.computabio.com/...

Numerous data exist online that can assist in in silico chemical or drug safety assessment. Capturing a chemical's safety profiles or toxicity within databases has become a necessary part of research across many industrial sectors, especially pharmaceuticals. CD ComputaBio is dedicating to integrating in silico data resources relevant to toxicology suitability for modelling, read-across, or similarity searching. https://ai.computabio.com/...

Kinases are crucial enzymes that regulate many bodily functions. Kinase assays are essential for drug discovery, used to identify new targets and test potential inhibitors. Various techniques exist, including radioactive, binding, functional, and kit-based assays. These assays enable screening for inhibitors, determining activity, profiling potency, and studying mechanisms of action. Given the therapeutic importance of kinase inhibitors, kinase assays are a major focus of current drug development efforts. CD ComputaBio offers kinase assay services to support high-throughput screening for new drug candidates. https://ai.computabio.com/...

CD ComputaBio offers a range of services for antibody reformatting and engineering. They can reengineer antibodies and antibody fragments into various formats, including Fab, F(ab)'2, scFv, VHH, and bispecific antibodies. https://www.computabio.com...

CD ComputaBio offers a LEfSe (Linear discriminant analysis Effect Size) analysis service to meet the specific needs of different customers. LEfSe is a method that determines the features (e.g. organisms, genes, functions) most likely to explain differences between classes by combining statistical significance tests with tests for biological consistency and effect relevance. https://www.computabio.com...

Analysis of variance (ANOVA) is a collection of statistical models and their associated estimation procedures (such as the "variation" among and between groups) used to analyze the differences among means. ANOVA was developed by the statistician Ronald Fisher. ANOVA is based on the law of total variance, where the observed variance in a particular variable is partitioned into components attributable to different sources of variation. In its simplest form, ANOVA provides a statistical test of whether two or more population means are equal, and therefore generalizes the t-test beyond two means. CD ComputaBio' ANOVA analysis can significantly reduce the cost and labor of the subsequent experiments. https://www.computabio.com...

Genome-wide association study (GWAS) is a method to find variant sequences in the whole genome of humans or plants and animals. The principle of whole-genome association analysis is to use millions of single nucleotide polymorphisms (SNPs) in the genome as molecular genetic markers to conduct control analysis or correlation analysis at the whole-genome level. CD ComputaBio uses artificial intelligence to provide one-stop service for life science research. Here, we provide post-GWAS array analysis based on PrediXcan according to customers’ requirement. https://ai.computabio.com/...

CD ComputaBio provides analysis services based on PrediXcan. PrediXcan is a gene-based association analysis software. With the help of artificial intelligence machine learning, it helps you quickly establish the relationship between genetically regulated gene expression and disease or biological traits. https://ai.computabio.com/...

CD ComputaBio provides splice junction analysis based on SpliceAI. With the help of artificial intelligence methods, SpliceAI uses deep neural networks to predict the location of splicing events in the genome with high accuracy. In addition to SpliceAI, we also provide other types of software for customers to analyze alternative splicing data. https://ai.computabio.com/...

Ligand-based Virtual Screening (LBVS), also known as ligand similarity searching, involves computational strategies to identify molecules that are predicted to bind to drug targets. LBVS is utilized to identify and predict potential drugs that are most likely to bind specifically and efficiently to biologically integral molecules. This service is instrumental in the facilitation of faster, more efficient drug discovery and development processes. https://www.computabio.com...

Protein-protein interactions (PPIs) are essential to almost every process in a cell, so understanding PPIs is crucial for understanding cell physiology in normal and disease states. It is also essential in drug development, since drugs can affect PPIs. Protein-protein interaction networks (PPIN) are mathematical representations of the physical contacts between proteins in the cell. https://www.computabio.com...

CD ComputaBio can provide you with NBO analysis service. We can easily find out the number of atoms in the calculated molecule, the type and composition of various molecular orbitals, and the intramolecular and intermolecular hyperconjugate interactions. The following services are available from CD ComputaBio. https://www.computabio.com...