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 …
diseases. All vaccinations work by presenting a foreign antigen to the immune system in …
Rapid, accurate, precise, and reliable relative free energy prediction using ensemble based thermodynamic integration
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 …
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 …
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 …
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 …
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 …
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
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 …
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 …
(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 …
applications of omics in bioinformatics, cancer research and therapy, diabetes research …