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Items: 5

1.

Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion.

Budday D, Leyendecker S, van den Bedem H.

J Chem Inf Model. 2018 Oct 22;58(10):2108-2122. doi: 10.1021/acs.jcim.8b00267. Epub 2018 Oct 9.

2.

Collision-free poisson motion planning in ultra high-dimensional molecular conformation spaces.

Fonseca R, Budday D, van den Bedem H.

J Comput Chem. 2018 May 5;39(12):711-720. doi: 10.1002/jcc.25138. Epub 2018 Jan 5.

PMID:
29315667
3.

Frustration-guided motion planning reveals conformational transitions in proteins.

Budday D, Fonseca R, Leyendecker S, van den Bedem H.

Proteins. 2017 Oct;85(10):1795-1807. doi: 10.1002/prot.25333. Epub 2017 Jul 12.

PMID:
28597937
4.

Fast, clash-free RNA conformational morphing using molecular junctions.

Héliou A, Budday D, Fonseca R, van den Bedem H.

Bioinformatics. 2017 Jul 15;33(14):2114-2122. doi: 10.1093/bioinformatics/btx127.

PMID:
28334257
5.

Geometric analysis characterizes molecular rigidity in generic and non-generic protein configurations.

Budday D, Leyendecker S, van den Bedem H.

J Mech Phys Solids. 2015 Oct 1;83:36-47.

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