In this paper, current prediction methods and algorithms for both T‐and B cell epitopes are
reviewed, and a comprehensive summary of epitope prediction software and databases …

Over the past year there have been some interesting and significant advances in computer-
based ligand—protein docking techniques and related rational drug-design tools, including …

Comparative protein structure prediction is limited mostly by the errors in alignment and loop
modeling. We describe here a new automated modeling technique that significantly …

The development of immunological therapies that incorporate peptide antigens presented to
T cells by MHC proteins is a long sought-after goal, particularly for cancer, where mutated …

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 …

Understanding the mechanisms involved in the activation of an immune response is
essential to many fields in human health, including vaccine development and personalized …

T-cell recognition of peptide/major histocompatibility complex (MHC) is a prerequisite for
cellular immunity. Recently, there has been an influx of bioinformatics tools to facilitate the …

Loop closure in proteins has been studied actively for over 25 years. Using spherical
geometry and polynomial equations, several loop‐closure problems in proteins are solved …

Many approaches to studying protein–ligand interactions by computational docking are
currently available. Given the structures of a protein and a ligand, the ultimate goal of all …

We present a new approach to calculating conformational equilibria in complex molecules,
multiple-copy locally enhanced sampling (LES), and apply this approach to the well-known …