In silico drug design and AI

Micar Innovation provide in silico screening for the detection of biologically active compounds / discovers new small molecule drugs through power of Artificial intelligence (AI), we offer a combination of the most advanced approaches currently used ...

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We have more than 70% success rate, i.e. from 10 predicted to be active ligands at least 7 are active after performing the experimental tests.

Our innovation in this area is based on the combination of structural based pharmacofore and docking virtual screening.

Drug Discovery Services & Prices

Recently, we improved the FEP+ protocol by 30-40% increasing significantly the accuracy.

Indeed many other approaches are also employed for this critical step, which is the most expensive part of any drug discovery project.

Drug Discovery Services & Prices

In a case when both the structure and dynamics of some protein are not clear we use state of art Molecular dynamics simulations such as long term classical (cMD), accelerated (aMD), GaMD and Metadynamics to obtain the information, which is critical for the drug discovery project to be performed. For instance, if you have GPCR structure created by Homology modeling you will need to refine it and to obtain a really good structure which further to be used during the virtual screens and FEP calculations.

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Our proof in the Pipeline

We have our own drug discovery programs and our 3 lead compounds are already in preclinical studies. Our strategy is to develop drug for both humans and pets.
*It takes about 7 months to obtain a license for pet drug.

Discovery of new active substances for the development of medicinal cosmetics

We also screened databases, including natural chemicals derived from plants. These are substances mainly from traditional Chinese and Indian medicine ...

The real science and cosmetics are joined in one solution now. Our cosmetic products are:

Personalized genetic analysis screen with new modern approaches

Our company has made a step forward in the analysis of genetic screen and we recently proposed a well established molecular dynamics (MD) methodologies

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Personalized Genetics Analysis screen with new modern approaches

Our company has made a step forward in the analysis of genetic screen, we recently proposed a well established molecular dynamics (MD) methodologies in the investigation of the effects of mutations already classified as causing disease and those classified as VOUS in protein structure and function.

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Opening of new active substances for the development of medicinal cosmetics

Like drug design, we offer individual design for each of our clients. It involves initially collecting data on recent advances in the study of requests field. Furthermore, it is selected as a candidate promising target protein. As in the design of drugs to any skin disease or any other disorder and turns ...

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See our latest posts

Prediction of Accurate Binding Modes using Combination of classical and accelerated Molecular dynamics and Free Energy Perturbation Calculations: An Application to Toxicity Studies

Prediction of Accurate Binding Modes using Combination of classical and accelerated Molecular dynamics and Free Energy Perturbation Calculations: An Application to Toxicity Studies

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An Improvement of the Free Energy Perturbation (FEP+) Sampling Protocol in Case of Flexible protein Ligand Binding Sites

An Improvement of the Free Energy Perturbation (FEP+) Sampling Protocol in Case of Flexible protein Ligand Binding Sites

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Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G54S Mutation Case ...

Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G54S Mutation Case

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Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro Work Flow

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Publications in scientific journals

Micar21 scientific papers have been published only in well recognized international journals

Micar Innovation - Your Factory for Drug Design and Discovery

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