As drug development continues to evolve, ensuring the safety of potential therapeutic agents is a critical component. hERG plays a key role in this process as it encodes a potassium channel involved in the regulation of the heart's electrical activity. hERG channel dysfunction can lead to severe cardiac arrhythmias and even sudden death. CD ComputaBio stands at the forefront of this innovative service, providing the pharmaceutical industry with state-of-the-art solutions to improve drug safety. 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.  https://cadd.computabio.co...

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...

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...