Rebecca C. Wade

Orcid: 0000-0001-5951-8670

Affiliations:
  • Heidelberg Institute for Theoretical Studies, Germany


According to our database1, Rebecca C. Wade authored at least 29 papers between 1990 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2024
EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.
J. Chem. Inf. Model., 2024

2023
Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site Dynamics.
J. Chem. Inf. Model., August, 2023

2021
Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis.
J. Chem. Inf. Model., 2021

2020
Druggability Assessment in TRAPP Using Machine Learning Approaches.
J. Chem. Inf. Model., 2020

2019
Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals.
PLoS Comput. Biol., 2019

KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding.
J. Chem. Inf. Model., 2019

2017
TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets.
Nucleic Acids Res., 2017

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.
J. Comput. Aided Mol. Des., 2017

2015
Crucial HSP70 co-chaperone complex unlocks metazoan protein disaggregation.
Nat., 2015

webSDA: a web server to simulate macromolecular diffusional association.
Nucleic Acids Res., 2015

SDA 7: A modular and parallel implementation of the simulation of diffusional association software.
J. Comput. Chem., 2015

LigDig: a web server for querying ligand-protein interactions.
Bioinform., 2015

2013
Organism-Adapted Specificity of the Allosteric Regulation of Pyruvate Kinase in Lactic Acid Bacteria.
PLoS Comput. Biol., 2013

TRAPP: A Tool for Analysis of <i>Tra</i>nsient Binding <i>P</i>ockets in <i>P</i>roteins.
J. Chem. Inf. Model., 2013

Targeting protein dynamics in drug design.
J. Cheminformatics, 2013

2011
Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9.
PLoS Comput. Biol., 2011

2008
webPIPSA: a web server for the comparison of protein interaction properties.
Nucleic Acids Res., 2008

SYCAMORE - a systems biology computational analysis and modeling research environment.
Bioinform., 2008

2007
qPIPSA: Relating enzymatic kinetic parameters and interaction fields.
BMC Bioinform., 2007

2006
ProSAT2 - Protein Structure Annotation Server.
Nucleic Acids Res., 2006

2003
MolSurfer: a macromolecular interface navigator.
Nucleic Acids Res., 2003

DSMM: a Database of Simulated Molecular Motions.
Nucleic Acids Res., 2003

A New Approach To Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the log<i>P</i> and log<i>D</i> Values: Application to Auxins.
J. Chem. Inf. Comput. Sci., 2003

Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.
J. Comput. Aided Mol. Des., 2003

ProSAT: functional annotation of protein 3D structures.
Bioinform., 2003

2001
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

1998
Classification of auxin plant hormones by interaction property similarity indices.
J. Comput. Aided Mol. Des., 1998

1997
Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracy.
J. Comput. Chem., 1997

1990
Solvation of the active site of cytochrome P450-cam.
J. Comput. Aided Mol. Des., 1990


  Loading...