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Here, is the probability of two amino acids and replacing each other in a homologous sequence, and and are the background probabilities of finding the amino acids and in any protein sequence. The factor λ {\displaystyle \lambda } is a scaling factor, set such that the matrix contains easily computable integer values.
Peptide Mass Fingerprint search Identifies proteins from an uploaded peak list using a technique known as peptide mass fingerprinting. Sequence query Combines peptide mass data with amino acid sequence and composition information usually obtained from MS/MS tandem mass spectrometry data. Based on the peptide sequence tag approach. MS/MS Ion Search
PEAKS provides de novo sequencing for each peptide, confidence scores on individual amino acid assignments with manually assisted mode and automated de novo sequencing on an entire LC run, with data processed faster than 1 spectrum per second. [31] [32] Supernovo Proprietary: This software automates de novo sequencing of monoclonal antibodies. [33]
Also, amino acid side chain affinity for water was measured using vapor phases. [14] Vapor phases represent the simplest non polar phases, because it has no interaction with the solute. [ 18 ] The hydration potential and its correlation to the appearance of amino acids on the surface of proteins was studied by Wolfenden.
Coot displays electron density maps and atomic models and allows model manipulations such as idealization, real space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mutations, rotamers, and Ramachandran idealization. The software is designed to be easy-to-learn for novice users, achieved by ensuring that ...
In mass spectrometry, de novo peptide sequencing is the method in which a peptide amino acid sequence is determined from tandem mass spectrometry. Knowing the amino acid sequence of peptides from a protein digest is essential for studying the biological function of the protein. In the old days, this was accomplished by the Edman degradation ...
In 1993, Bio-Synthesis was one of the first peptide synthesis companies to acquire a Finnigan MALDI-TOF mass spectrometer for the accurate quality control of synthetic peptides produced in-house. In 1994, Bio-synthesis pioneered the use of molecular methods for HLA analysis which is applied in organ matching for transplantation purposes.
In computational biology, protein pK a calculations are used to estimate the pK a values of amino acids as they exist within proteins.These calculations complement the pK a values reported for amino acids in their free state, and are used frequently within the fields of molecular modeling, structural bioinformatics, and computational biology.