Rapid, Precise, and Reproducible Prediction of Peptide–MHC Binding Affinities from Molecular Dynamics That Correlate Well with Experiment-Reference-Cited by-同舟云学术

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Rapid, Precise, and Reproducible Prediction of Peptide–MHC Binding Affinities from Molecular Dynamics That Correlate Well with Experiment

Published:2015-06-24 Issue:7 Volume:11 Page:3346-3356
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wan Shunzhou¹,Knapp Bernhard²,Wright David W.³,Deane Charlotte M.²,Coveney Peter V.¹

Affiliation:

1. Centre for Computational Science, Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom

2. Protein Informatics Group, Department of Statistics, University of Oxford, Oxford, OX1 3TG, United Kingdom

3. Institute of Structural and Molecular Biology, University College London, London WC1E 6BT, United Kingdom

Funder

President and Provost’s Office, University College London

Microsoft Research

Seventh Framework Programme

Engineering and Physical Sciences Research Council

Medical Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00179

Reference40 articles.

1. HOW TCRS BIND MHCS, PEPTIDES, AND CORECEPTORS

2. TAP-independent antigen presentation on MHC class I molecules: lessons from Epstein–Barr virus

3. Evaluation of peptide selection approaches for epitope-based vaccine design

4. Conformational Melding Permits a Conserved Binding Geometry in TCR Recognition of Foreign and Self Molecular Mimics

5. Methods and protocols for prediction of immunogenic epitopes

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