T-cell epitope vaccine design by immunoinformatics

A Patronov, I Doytchinova - Open biology, 2013 - royalsocietypublishing.org
Vaccination is generally considered to be the most effective method of preventing infectious
diseases. All vaccinations work by presenting a foreign antigen to the immune system in …

Immunoinformatics: a brief review

N Tomar, RK De - Immunoinformatics, 2014 - Springer
A large volume of data relevant to immunology research has accumulated due to
sequencing of genomes of the human and other model organisms. At the same time, huge …

Rapid, accurate, precise, and reliable relative free energy prediction using ensemble based thermodynamic integration

AP Bhati, S Wan, DW Wright… - Journal of chemical …, 2017 - ACS Publications
The accurate prediction of the binding affinities of ligands to proteins is a major goal in drug
discovery and personalized medicine. The time taken to make such predictions is of similar …

Relaxation estimation of RMSD in molecular dynamics immunosimulations

W Schreiner, R Karch, B Knapp… - … mathematical methods in …, 2012 - Wiley Online Library
Molecular dynamics simulations have to be sufficiently long to draw reliable conclusions.
However, no method exists to prove that a simulation has converged. We suggest the …

Modelling biological complexity: a physical scientist's perspective

PV Coveney, PW Fowler - Journal of the Royal Society …, 2005 - royalsocietypublishing.org
We discuss the modern approaches of complexity and self-organization to understanding
dynamical systems and how these concepts can inform current interest in systems biology …

MM–GBSA binding free energy decomposition and T cell receptor engineering

V Zoete, MB Irving, O Michielin - Journal of Molecular …, 2010 - Wiley Online Library
Recognition by the T‐cell receptor (TCR) of immunogenic peptides (p) presented by class I
major histocompatibility complexes (MHC) is the key event in the immune response against …

Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach

A Patronov, I Dimitrov, DR Flower, I Doytchinova - BMC structural biology, 2011 - Springer
Background MHC class II proteins bind oligopeptide fragments derived from proteolysis of
pathogen antigens, presenting them at the cell surface for recognition by CD4+ T cells …

An insecticidal GroEL protein with chitin binding activity from Xenorhabdus nematophila

MC Joshi, A Sharma, S Kant, A Birah, GP Gupta… - Journal of biological …, 2008 - ASBMB
Xenorhabdus nematophila secretes insecticidal proteins to kill its larval prey. We have
isolated an∼ 58-kDa GroEL homolog, secreted in the culture medium through outer …

Conformational dimorphism of self-peptides and molecular mimicry in a disease-associated HLA-B27 subtype

C Ruckert, MT Fiorillo, B Loll, R Moretti… - Journal of Biological …, 2006 - ASBMB
An interesting property of certain peptides presented by major histocompatibility complex
(MHC) molecules is their acquisition of a dual binding mode within the peptide binding …

[图书][B] OMICS: biomedical perspectives and applications

D Barh, K Blum, MA Madigan - 2016 - books.google.com
A reflection of the explosion of research and development in this field, this book explores
applications of omics in bioinformatics, cancer research and therapy, diabetes research …