In this article, we present a new technique for the rapid and precise docking of peptides to
MHC class I and class II receptors. Our docking procedure consists of three steps:(1) peptide …

The ability to accurately compute the atomic positions of substrate-bound ligands is central
to understanding biological recognition. Although substantial progress has been made in …

Since determining the crystallographic structure of all peptide‐MHC complexes is infeasible,
an accurate prediction of the conformation is a critical computational problem. These models …

We show that a rapidly executable computational procedure provides the basis for a
predictive understanding of antigenic peptide side chain specificity, for binding to class I …

A simple and fast free energy scoring function (Fresno) has been developed to predict the
binding free energy of peptides to class I major histocompatibility (MHC) proteins. It differs …

Background Identification of antigenic peptide epitopes is an essential prerequisite in T cell-
based molecular vaccine design. Computational (sequence-based and structure-based) …

Poly-N-acylated amines, as a new class of synthetic non-peptide ligands for the murine
major histocompatibility complex (MHC) class I molecule H-2K b, were developed on the …

Major histocompatibility complex (MHC) class I molecules (proteins) bind peptides of eight to
ten amino acids to present them at the cell surface to cytotoxic T cells. The class I binding …

Abstract Proteins of the Major Histocompatibility Complex (MHC) bind self and nonself
peptide antigens or epitopes within the cell and present them at the cell surface for …

We report on molecular dynamics simulations of major histocompatibility complex (MHC)–
peptide complexes. Class I MHC molecules play an important role in cellular immunity by …