Rebecca C. Wade

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

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.

Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C. Wade, Ariane Nunes-Alves, Thereza A. Soares, Kenneth M. Merz Jr.

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.

Lucas G. Viviani, Daria B. Kokh, Rebecca C. Wade, Antonia T. do Amaral

J. Chem. Inf. Model., August, 2023

2021

Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis.

Ariane Nunes-Alves, Fabian Ormersbach, Rebecca C. Wade

J. Chem. Inf. Model., 2021

2020

Druggability Assessment in TRAPP Using Machine Learning Approaches.

Jui-Hung Yuan, Sungho Bosco Han, Stefan Richter, Rebecca C. Wade, Daria B. Kokh

J. Chem. Inf. Model., 2020

2019

Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals.

Neil J. Bruce, Daniele Narzi, Daniel Trpevski, Siri Camee van Keulen, Anu G. Nair, Ursula Rothlisberger, Rebecca C. Wade, Paolo Carloni, Jeanette Hellgren Kotaleski

PLoS Comput. Biol., 2019

KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding.

Neil J. Bruce, Gaurav K. Ganotra, Stefan Richter, Rebecca C. Wade

J. Chem. Inf. Model., 2019

2017

TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets.

Antonia Stank, Daria B. Kokh, Max Horn, Elena Sizikova, Rebecca Neil, Joanna Panecka, Stefan Richter, Rebecca C. Wade

Nucleic Acids Res., 2017

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.

Wiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, Rebecca C. Wade, W. Andrzej Sokalski

J. Comput. Aided Mol. Des., 2017

2015

Crucial HSP70 co-chaperone complex unlocks metazoan protein disaggregation.

Nadinath B. Nillegoda, Janine Kirstein, Anna Szlachcic, Mykhaylo Berynskyy, Antonia Stank, Florian Stengel, Kristin Arnsburg, Xuechao Gao, Annika Scior, Ruedi Aebersold, D. Lys Guilbride, Rebecca C. Wade, Richard I. Morimoto, Matthias P. Mayer, Bernd Bukau

Nat., 2015

webSDA: a web server to simulate macromolecular diffusional association.

Xiaofeng Yu, Michael Martinez, Annika L. Gable, Jonathan C. Fuller, Neil J. Bruce, Stefan Richter, Rebecca C. Wade

Nucleic Acids Res., 2015

SDA 7: A modular and parallel implementation of the simulation of diffusional association software.

Michael Martinez, Neil J. Bruce, Julia Romanowska, Daria B. Kokh, Musa Ozboyaci, Xiaofeng Yu, Mehmet Ali Öztürk, Stefan Richter, Rebecca C. Wade

J. Comput. Chem., 2015

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

Jonathan C. Fuller, Michael Martinez, Stefan Henrich, Antonia Stank, Stefan Richter, Rebecca C. Wade

Bioinform., 2015

2013

Organism-Adapted Specificity of the Allosteric Regulation of Pyruvate Kinase in Lactic Acid Bacteria.

Nadine Veith, Anna Feldman-Salit, Vlad Cojocaru, Stefan Henrich, Ursula Kummer, Rebecca C. Wade

PLoS Comput. Biol., 2013

TRAPP: A Tool for Analysis of <i>Tra</i>nsient Binding <i>P</i>ockets in <i>P</i>roteins.

Daria B. Kokh, Stefan Richter, Stefan Henrich, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade

J. Chem. Inf. Model., 2013

Targeting protein dynamics in drug design.

Rebecca C. Wade

J. Cheminformatics, 2013

2011

Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9.

Vlad Cojocaru, Kia Balali-Mood, Mark S. P. Sansom, Rebecca C. Wade

PLoS Comput. Biol., 2011

2008

webPIPSA: a web server for the comparison of protein interaction properties.

Stefan Richter, Anne Wenzel, Matthias Stein, Razif R. Gabdoulline, Rebecca C. Wade

Nucleic Acids Res., 2008

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

Andreas Weidemann, Stefan Richter, Matthias Stein, Sven Sahle, Ralph Gauges, Razif R. Gabdoulline, Irina Surovtsova, Nils Semmelrock, Bruno Besson, Isabel Rojas, Rebecca C. Wade, Ursula Kummer

Bioinform., 2008

2007

qPIPSA: Relating enzymatic kinetic parameters and interaction fields.

Razif R. Gabdoulline, Matthias Stein, Rebecca C. Wade

BMC Bioinform., 2007

2006

ProSAT2 - Protein Structure Annotation Server.

Razif R. Gabdoulline, S. Ulbrich, Stefan Richter, Rebecca C. Wade

Nucleic Acids Res., 2006

2003

MolSurfer: a macromolecular interface navigator.

Razif R. Gabdoulline, Rebecca C. Wade, Dirk Walther

Nucleic Acids Res., 2003

DSMM: a Database of Simulated Molecular Motions.

Giacomo Finocchiaro, Ting Wang, René Hoffmann, Aitor González, Rebecca C. Wade

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.

Branimir Bertosa, Biserka Kojic-Prodic, Rebecca C. Wade, Michael Ramek, Stavroula Piperaki, Anna Tsantili-Kakoulidou, Sanja Tomic

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.

Jan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský

J. Comput. Aided Mol. Des., 2003

ProSAT: functional annotation of protein 3D structures.

Razif R. Gabdoulline, René Hoffmann, Florian Leitner, Rebecca C. Wade

Bioinform., 2003

2001

3D modeling of macromolecular structures and reactions in the context of genomes.

Razif R. Gabdoulline, Aitor González, Rebecca C. Wade

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.

Sanja Tomic, Razif R. Gabdoulline, Biserka Kojic-Prodic, Rebecca C. Wade

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.

Volkhard Helms, Rebecca C. Wade

J. Comput. Chem., 1997

1990

Solvation of the active site of cytochrome P450-cam.

Rebecca C. Wade

J. Comput. Aided Mol. Des., 1990