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Rosetta Structure Sampling

ROSETTA SAMPLING METHODS Rosetta uses its energy function to determine whether a conformation is favorable. Using this function, it can sample a wide range of conformations in order to optimize protein structure in terms of score. Rosetta uses several ways of sampling...

Antibody HM

OVERVIEW HM Antibody is a structure prediction tool for the variable region of antibodies. The protocol assumes that your sequence is a naturally-occuring antibody, which means that there is a limit to how much your input can diverge from the norm. Often, users have...

How does DDG Version 2 compare to Version 1?

IMPROVED DDG, FREE ENERGY MUTATION CALCULATOR Our delta delta G (DDG) tool has been significantly improved in order to make better predictions of the stability of single point mutations. This method has been significantly changed in order address certain weaknesses in...

Create a PSSM

BACKGROUND A protein Position Specific Scoring Matrix (PSSM) takes the alignment of your protein to a list of homologs and counts the amino acids found at each position for the homologs. This is an easy way of measuring evolutionarily related mutations accepted at...

Epitope Scan

BACKGROUND Immunogenicity is the propensity of a molecule to provoke a response by the immune system. In many cases this is the desired behavior of the immune system, recognizing foreign objects and targeting them for neutralization or removal. However immunogenicity...

DDG

Delta Delta G (DDG) is a metric for predicting how a single point mutation will affect protein stability. DDG, often referred to as 𝚫𝚫G, is the change in the change in Gibbs free energy (double changes intended). DDG is a measure of the change in energy between the...

Replace Ligand

OVERVIEW The Replace Ligand tool allows you to swap a new ligand into a pocket in place of an existing ligand. This is useful when you want to dock a molecule that is similar to a ligand with a known binding conformation. Design and other modeling can then be carried...