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[Technical Column] Protein Structure Prediction in In Silico Drug Discovery

Supports various applications such as homology modeling of three-dimensional structures, reconstruction of loops and side chains, and structural optimization!

"BIOVIA Discovery Studio" is a molecular modeling/simulation software for the pharmaceutical and medical device industries. It supports the understanding of biological processes and the resolution of challenges in the life sciences field through the analysis and prediction of protein three-dimensional structures. The three-dimensional structure of proteins is closely related to their physiological functions. Elucidating this structure is essential for understanding biological processes and solving challenges in the life sciences. While experimental techniques have traditionally been used for protein structure determination, manual optimization emerged in the 1970s, computational design in the 1990s, and now AI-driven methods have made it possible to predict protein structures. For more detailed information on the specific techniques of protein structure prediction, you can view the column at the link below. Please take a look.

  • Protein Analysis Software
  • Protein structure display software
  • Structure prediction

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[TechBlog] Protein Structure Prediction in In Silico Drug Discovery

Seamlessly support a series of drug discovery research using "BIOVIA Discovery Studio"!

"BIOVIA Discovery Studio" is a molecular modeling and simulation software that supports structure-based drug discovery by modeling and analyzing 3D molecular structures such as proteins and small molecules on a computer. It accommodates homology modeling to predict the 3D structure from the amino acid sequence of proteins, as well as AI-based protein structure prediction using AlphaFold2 and OpenFold. Additionally, it allows for molecular dynamics simulations and molecular docking simulations using the predicted protein structures, enabling the analysis of non-covalent interactions, binding stability, structural changes, and solvation of target proteins and drug molecules. **Features** - A wide range of analytical methods necessary for in silico drug discovery are available. - Supports structure prediction utilizing AI in addition to homology modeling. - Facilitates multifaceted analysis based on the predicted protein structures. *For more details, please refer to the related links or feel free to contact us.*

  • Software (middle, driver, security, etc.)
  • Structure prediction

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