PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules

Daan M. F. van Aalten, R. P. Bywater, J. B. C. Findlay, +3

Journal of Computer-Aided Molecular Design

Unique Molecular DescriptorsEngineeringStructural BioinformaticsComputational BiologyMolecular Biology +10

Domain swapping in G-protein coupled receptor dimers

Paul R. Gouldson, Christopher R. Snell, R. P. Bywater, +2

Protein Engineering Design and Selection

Crystals of glutamine synthetase from Escherichia coli

R. P. Bywater, C. H. Carlisle, Richard B. Jackson, +2

Journal of Molecular Biology

BiosynthesisBiochemistryEnzyme CatalysisEscherichia ColiStructure-function Enzyme Kinetics +1

Dynamics of proteins in different solvent systems: analysis of essential motion in lipases

Günther H. Peters, Daan M. F. van Aalten, Olle Edholm, +1

Biophysical Journal

Protein ChemistryProteinlipid InteractionBiochemistryProtein FoldingDifferent Solvent Systems +5

Essential dynamics of lipase binding sites: the effect of inhibitors of different chain length

Günther H. Peters, Daan M. F. van Aalten, Allan Svendsen, +1

Protein Engineering Design and Selection

Proteinlipid InteractionProtein AssemblyMolecular BiologyLipid MovementEssential Dynamics +14

Drug design for ever, from hype to hope

Gavin M. Seddon, Valère Lounnas, Ross McGuire, +4

Journal of Computer-Aided Molecular Design

A comparison of structural and dynamic properties of different simulation methods applied to SH3

Daan M. F. van Aalten, Andrea Amadei, R. P. Bywater, +4

Biophysical Journal

Dynamic PropertiesEngineeringMechanicsMechanical EngineeringNumerical Simulation +10

Computational analysis of chain flexibility and fluctuations in Rhizomucor miehei lipase

Günther H. Peters, R. P. Bywater

Protein Engineering Design and Selection

The crystal structure of the stable isomer of α-benzamidocinnamic acid: the influence of cis–trans-isomerism on the kinetics of the hydrolysis of the products of interaction of α-chymotrypsin with the isomeric 4-benzylidene-2-phenyl-Δ²-oxazolin-5-ones

K Brocklehurst, R. P. Bywater, R. A. Palmer, +1

Journal of the Chemical Society D Chemical Communications

Crystal StructureMedicinal ChemistryEngineeringBiochemistryNatural Sciences +8

Functional concerted motions in the bovine serum retinol-binding protein

P.‐L. Chau, Daan M. F. van Aalten, R. P. Bywater, +1

Journal of Computer-Aided Molecular Design