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Coarse-graining methods for computational biology. Schlick, T. Seeber, M. Wordom: a user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Shaw, D. Sherwood, P. Multiscale methods for macromolecular simulations. Snow, C. How well can simulation predict protein folding kinetics and thermodynamics? Spiwok, V. Enhanced sampling techniques in biomolecular simulations.
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BMC Bioinformatics Sutto, L. Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase. New advances in metadynamics. Wiley Interdiscip. Tang, C. Open-to-closed transition in apo maltose-binding protein observed by paramagnetic NMR. Tiberti, M. PyInteraph: a framework for the analysis of interaction networks in structural ensembles of proteins.
Tomlinson, J. Characterization of salt bridges to lysines in the protein G B1 domain. Tsai, C. Van den Bedem, H. Automated identification of functional dynamic contact networks from X-ray crystallography. Methods 10, — Vendruscolo, M. Determination of conformationally heterogeneous states of proteins. Small-world view of the amino acids that play a key role in protein folding.
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Citation: Papaleo E Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity. The use, distribution or reproduction in other forums is permitted, provided the original author s or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice.
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