GASP: software for geometric simulations of flexibility in polyhedral and molecular framework structures

Flexibility windows in faujasite with explicit water and methanol extra-framework content

(2015) Stephen A. Wells et al.   DALTON TRANSACTIONS

X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure–function studies of a neuronal calcium-signalling protein

(2015) P. T. Erskine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

On the Flexibility of Metal–Organic Frameworks

(2014) Lev Sarkisov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Acoustic phonons and negative thermal expansion in MOF-5

(2014) Leila H. N. Rimmer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structures of mesophilic and extremophilic citrate synthases reveal rigidity and flexibility for function

(2014) Stephen A. Wells et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Research Update: Mechanical properties of metal-organic frameworks – Influence of structure and chemical bonding

(2014) Wei Li et al.   APL Materials

Elucidating the Breathing of the Metal–Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Powder Diffraction Experiments

(2013) Linjiang Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-resolution NMR studies of structure and dynamics of human ERp27 indicate extensive interdomain flexibility

(2012) Nader T. Amin et al.   BIOCHEMICAL JOURNAL

Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation

(2012) Nikolas S. Burkoff et al.   BIOPHYSICAL JOURNAL

Rapid simulation of protein motion: merging flexibility, rigidity and normal mode analyses

(2012) J E Jimenez-Roldan et al.   PHYSICAL BIOLOGY

Flexibility windows and compression of monoclinic and orthorhombic silicalites

(2012) Asel Sartbaeva et al.   PHYSICAL REVIEW B

Protein flexibility is key to cisplatin crosslinking in calmodulin

(2012) Huilin Li et al.   PROTEIN SCIENCE

Template-Based Geometric Simulation of Flexible Frameworks

(2012) Stephen A. Wells et al.   Materials

Flexibility windows and phase transitions of ordered and disordered ANA framework zeolites

(2011) S. A. Wells et al.   EPL

A Normal Mode-Based Geometric Simulation Approach for Exploring Biologically Relevant Conformational Transitions in Proteins

(2011) Aqeel Ahmed et al.   Journal of Chemical Information and Modeling

Density of Mechanisms within the Flexibility Window of Zeolites

(2011) V. Kapko et al.   PHYSICAL REVIEW LETTERS

Flexibility of ideal zeolite frameworks

(2010) V. Kapko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Generating stereochemically acceptable protein pathways

(2010) Daniel W. Farrell et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Compression behaviour and flexibility window of the analcime-like feldspathoids: experimental and theoretical findings

(2009) G. Diego Gatta et al.   EUROPEAN JOURNAL OF MINERALOGY

Pure Silica Zeolite-type Frameworks: A Structural Analysis

(2008) David S. Wragg et al.   CHEMISTRY OF MATERIALS

Flexibility window controls pressure-induced phase transition in analcime

(2008) A. Sartbaeva et al.   EPL

Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions

(2008) Michael J Conterio et al.   JOURNAL OF PHYSICS-CONDENSED MATTER