Rebecca C. Wade
According to our database1, Rebecca C. Wade
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TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets.
Nucleic Acids Research, 2017
Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.
Journal of Computer-Aided Molecular Design, 2017
Crucial HSP70 co-chaperone complex unlocks metazoan protein disaggregation.
webSDA: a web server to simulate macromolecular diffusional association.
Nucleic Acids Research, 2015
SDA 7: A modular and parallel implementation of the simulation of diffusional association software.
Journal of Computational Chemistry, 2015
LigDig: a web server for querying ligand-protein interactions.
Organism-Adapted Specificity of the Allosteric Regulation of Pyruvate Kinase in Lactic Acid Bacteria.
PLoS Computational Biology, 2013
TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins.
Journal of Chemical Information and Modeling, 2013
Targeting protein dynamics in drug design.
J. Cheminformatics, 2013
Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9.
PLoS Computational Biology, 2011
webPIPSA: a web server for the comparison of protein interaction properties.
Nucleic Acids Research, 2008
SYCAMORE - a systems biology computational analysis and modeling research environment.
qPIPSA: Relating enzymatic kinetic parameters and interaction fields.
BMC Bioinformatics, 2007
ProSAT2 - Protein Structure Annotation Server.
Nucleic Acids Research, 2006
MolSurfer: a macromolecular interface navigator.
Nucleic Acids Research, 2003
DSMM: a Database of Simulated Molecular Motions.
Nucleic Acids Research, 2003
A New Approach To Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the logP and logD Values: Application to Auxins.
Journal of Chemical Information and Computer Sciences, 2003
Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.
Journal of Computer-Aided Molecular Design, 2003
ProSAT: functional annotation of protein 3D structures.
3D modeling of macromolecular structures and reactions in the context of genomes.
Proceedings of the Computer science and biology: Proceedings of the German Conference on Bioinformatics, 2001
Classification of auxin plant hormones by interaction property similarity indices.
Journal of Computer-Aided Molecular Design, 1998
Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy.
Journal of Computational Chemistry, 1997
Solvation of the active site of cytochrome P450-cam.
Journal of Computer-Aided Molecular Design, 1990