Logean, A. | Chemogenomics Structural Group

High-Throughput Modeling of Human G-Protein Coupled Receptors: Amino Acid Sequence Alignment, Three-Dimensional Model Building, and Receptor Library Screening

The current study describes the development of a computer package (GPCRmod) aimed at the high-throughput modeling of the therapeutically important family of human G-protein coupled …

Bissantz, C.

• May 1, 2004 • 1 min read

Molecular Mimicry of an HLA-B27-derived Ligand of Arthritis-linked Subtypes with Chlamydial Proteins

HLA-B27 is strongly associated with spondyloarthropathies, including ankylosing spondylitis and reactive arthritis.

Ramos, M.

• Oct 4, 2002 • 1 min read

Alleles

Recovery of known T-cell epitopes by computational scanning of a viral genome.

A new computational method (EpiDock) is proposed for predicting peptide binding to class I MHC proteins, from the amino acid sequence of any protein of immunological interest.

Logean, A.

• Apr 1, 2002 • 1 min read

Customized versus universal scoring functions: application to class I MHC–peptide binding free energy predictions

A tailor-made free energy scoring method (Fresno) has been compared to six universal scoring functions (Chemscore, Dock, FlexX, Gold, Pmf, Score) for predicting the binding …

Logean, A.

• Mar 12, 2001 • 1 min read

Circular Dichroism

Synergistic Use of Virtual Screening and Biophysical Methods for the Protein-Based Design of Peptidomimetics

Combining virtual screening with biophysical studies of protein-ligand complexes is an effective tool for designing new peptidomimetics.

Rognan, D.

• Nov 1, 2000 • 1 min read