Global and local indices for characterizing biomolecular flexibility and rigidity

Thermostabilizing mutations preferentially occur at structural weak spots with a high mutation ratio

(2012) Prakash C. Rathi et al.   JOURNAL OF BIOTECHNOLOGY

A Proof of the Molecular Conjecture

(2011) Naoki Katoh et al.   DISCRETE & COMPUTATIONAL GEOMETRY

Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface

(2011) Alexander Metz et al.   Journal of Chemical Information and Modeling

HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations

(2010) Simone Fulle et al.   Journal of Chemical Information and Modeling

Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses

(2010) Aqeel Ahmed et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Protein rigidity and thermophilic adaptation

(2010) Sebastian Radestock et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Statics of the Ribosomal Exit Tunnel: Implications for Cotranslational Peptide Folding, Elongation Regulation, and Antibiotics Binding

(2009) Simone Fulle et al.   JOURNAL OF MOLECULAR BIOLOGY

Constraint counting on RNA structures: Linking flexibility and function

(2009) Simone Fulle et al.   METHODS

Analyzing the Flexibility of RNA Structures by Constraint Counting

(2008) Simone Fulle et al.   BIOPHYSICAL JOURNAL

Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family

(2008) Dennis R Livesay et al.   Chemistry Central Journal

Exploiting the Link between Protein Rigidity and Thermostability for Data-Driven Protein Engineering

(2008) S. Radestock et al.   ENGINEERING IN LIFE SCIENCES

The Complex Inter-Relationships Between Protein Flexibility and Stability

(2008) Tim J. Kamerzell et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Unifying mechanical and thermodynamic descriptions across the thioredoxin protein family

(2008) James M. Mottonen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Identification of putative, stable binding regions through flexibility analysis of HIV-1 gp120

(2008) Hepan Tan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Thermostability of Salt Bridges versus Hydrophobic Interactions in Proteins Probed by Statistical Potentials

(2007) Benjamin Folch et al.   Journal of Chemical Information and Modeling