Molecular modeling


Molecular modeling is a broad field of study, including analysis and prediction of molecular structure and activity. Biortus focus on molecular modeling services for the structure of biological macromolecules and the complex structure with ligands. It can also collaborate with structure prediction, docking and molecular dynamics simulation.


Our advantage: 
1. Shorter calculation cycle and higher speed
2. High calculation accuracy
3. Compared with experimental methods, cost reduced significantly

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1. Protein Homology Modeling
Homologous modeling could convert amino acid sequences to three-dimensional structures based on template proteins. It is currently the most effective method for predicting the three-dimensional protein structure. For unpublished protein structures, homology modeling is an important and effective structure building method. Based on the conservative theory of the three-dimensional structure of homologous proteins, providing protein sequence identity is greater than 30%, proteins with unknown structures can use one or more related structures as templates to construct their three-dimensional structures. The constructed protein model can be used for subsequent molecular mechanism studies. 


2. Protein De-novo design
De novo design, also known as the "reverse protein folding problem", is an attractive method for constructing proteins with predetermined structures and functions. The basis of de-novo design is to identify the primary sequence that can be correctly folded into desired structural topology. After an in-depth understanding of protein structure and related functions, backbone construction is the first but an essential step, in which minor elements such as α-helices, β-chains and loops are assembled with the help of machine learning and algorithms. De-novo design helps to generate the appropriate sequence and optimize the desired conformation. Biortus team can provide de-novo design related services for protein engineering, including protein structure prediction, protein folding and interaction, stability prediction etc.

Biortus

Biortus