Online protein calculations

Free AI-platform for biochemical experimental data prognosis

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Fabs+Epitope

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Input mutations in Fabs/Epitope

The goal of the AI platform is to replace and reduce the number of intermediate in vitro experiments

Accuracy of calculations:
a single Pdb file of interacting proteins

depends on the accuracy of the PDB files. Try to use accurate structures of molecular entities that interact and form a single structure in a single PDB file.
Unnecessary fields just remain empty

Input your e-mail,
research name,
pdb files for wtPeptides (proteins)

Input information about mutations

Click SUBMIT

now the calculated data will be sent to your email in the order of the queue.

Fab1/36/Ala

If you need to introduce mutations into the protein or peptide being studied, then go to the next window to enter information about mutations in the protein.

Specify the protein number (if there is more than one), as well as the sequence number of the substitution and specify the amino acid residue

Wild Type

Peptide

Input mutations in Peptide

Correlation between calculated lg(cond(W)) and experimental data [urea]50% at the required increased denaturant concentration

Peptide+Protein

Input mutations in Peptide or protein

Examples of correlation graphs obtained from the interaction of mutant forms of a peptide and a protein.

The results of the experimental IC50 (a) and calculated values of lg(cond(W)) (c) ;
the top graphs present the experimental results for
MCL-1–Bax-BH3 (a)
complexes,
while the bottom graph show the results of numerical
calculations for the same biological complexes namely MCL-1–Bax-BH3 (c)

[A Paradigm Shift in Experimental Biochemistry: A Priori Estimation of Physical Parameters of Biomolecules]

Proteins interaction

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Input mutations in proteins

Examples of calculations in the form of a graph of biochemical reactions:

Proteins+Inhibitor

Input mutations in Protein

Scheme and numerical calculations of allosteric small chemical molecule interactions of the
EGFR–EGFR dimer, JBJ-04-125-02,
and AMP–PNP