Rebecca C. Wade - researchr alias

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Viewing Publication 1 - 28 from 28

2023

Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site DynamicsLucas G. Viviani, Daria B. Kokh, Rebecca C. Wade, Antonia T. do Amaral. jcisd, 63(15):4691-4707, August 2023. [doi]

2021

Prediction of the Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy AnalysisAriane Nunes-Alves, Fabian Ormersbach, Rebecca C. Wade. jcisd, 61(7):3708-3721, 2021. [doi]

2020

Druggability Assessment in TRAPP Using Machine Learning ApproachesJui-Hung Yuan, Sungho Bosco Han, Stefan Richter 0002, Rebecca C. Wade, Daria B. Kokh. jcisd, 60(3):1685-1699, 2020. [doi]

2019

KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular BindingNeil J. Bruce, Gaurav K. Ganotra, Stefan Richter 0002, Rebecca C. Wade. jcisd, 59(9):3630-3634, 2019. [doi]

Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signalsNeil J. Bruce, Daniele Narzi, Daniel Trpevski, Siri Camee van Keulen, Anu G. Nair, Ursula Rothlisberger, Rebecca C. Wade, Paolo Carloni, Jeanette Hellgren Kotaleski. ploscb, 15(10), 2019. [doi]

2017

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibitionWiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, Rebecca C. Wade, W. Andrzej Sokalski. jcamd, 31(8):715-728, 2017. [doi]

TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pocketsAntonia Stank, Daria B. Kokh, Max Horn, Elena Sizikova, Rebecca Neil, Joanna Panecka, Stefan Richter 0002, Rebecca C. Wade. nar, 45(Webserver-Issue), 2017. [doi]

2015

LigDig: a web server for querying ligand-protein interactionsJonathan C. Fuller, Michael Martinez, Stefan Henrich, Antonia Stank, Stefan Richter 0002, Rebecca C. Wade. bioinformatics, 31(7):1147-1149, 2015. [doi]

SDA 7: A modular and parallel implementation of the simulation of diffusional association softwareMichael Martinez, Neil J. Bruce, Julia Romanowska, Daria B. Kokh, Musa Ozboyaci, Xiaofeng Yu, Mehmet Ali Öztürk, Stefan Richter 0002, Rebecca C. Wade. jcc, 36(21):1631-1645, 2015. [doi]

Crucial HSP70 co-chaperone complex unlocks metazoan protein disaggregationNadinath 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. nature, 524(7564):247-251, 2015. [doi]

webSDA: a web server to simulate macromolecular diffusional associationXiaofeng Yu, Michael Martinez, Annika L. Gable, Jonathan C. Fuller, Neil J. Bruce, Stefan Richter 0002, Rebecca C. Wade. nar, 43(Webserver-Issue), 2015. [doi]

2013

2011

Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9Vlad Cojocaru, Kia Balali-Mood, Mark S. P. Sansom, Rebecca C. Wade. ploscb, 7(8), 2011. [doi]

2008

2007

qPIPSA: Relating enzymatic kinetic parameters and interaction fieldsRazif R. Gabdoulline, Matthias Stein, Rebecca C. Wade. bmcbi, 8, 2007. [doi]

2006

ProSAT2 - Protein Structure Annotation ServerRazif R. Gabdoulline, S. Ulbrich, Stefan Richter, Rebecca C. Wade. nar, 34(Web-Server-Issue):79-83, 2006. [doi]

2003

A New Approach To Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the log::::P:::: and log::::D:::: Values: Application to AuxinsBranimir Bertosa, Biserka Kojic-Prodic, Rebecca C. Wade, Michael Ramek, Stavroula Piperaki, Anna Tsantili-Kakoulidou, Sanja Tomic. jcisd, 43(5):1532-1541, 2003. [doi]

DSMM: a Database of Simulated Molecular MotionsGiacomo Finocchiaro, Ting Wang, René Hoffmann, Aitor Gonzalez, Rebecca C. Wade. nar, 31(1):456-457, 2003.

ProSAT: functional annotation of protein 3D structuresRazif R. Gabdoulline, René Hoffmann, Florian Leitner, Rebecca C. Wade. bioinformatics, 19(13):1723-1725, 2003.

MolSurfer: a macromolecular interface navigatorRazif R. Gabdoulline, Rebecca C. Wade, Dirk Walther. nar, 31(13):3349-3351, 2003.

Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculationsJan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský. jcamd, 17(5-6):299-311, 2003.

2001

3D modeling of macromolecular structures and reactions in the context of genomesRazif R. Gabdoulline, Aitor Gonzalez, Rebecca C. Wade. gcb 2001: 151-152

1998

Classification of auxin plant hormones by interaction property similarity indicesSanja Tomic, Razif R. Gabdoulline, Biserka Kojic-Prodic, Rebecca C. Wade. jcamd, 12(1):63-79, 1998. [doi]

1997

Free energies of hydration from thermodynamic integration: Comparison of molecular mechanics force fields and evaluation of calculation accuracyVolkhard Helms, Rebecca C. Wade. jcc, 18(4):449-462, 1997. [doi]

1990

Solvation of the active site of cytochrome P450-camRebecca C. Wade. jcamd, 4(2):199-204, 1990. [doi]

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Publications by 'Rebecca C. Wade'

Viewing Publication 1 - 28 from 28

2023

2021

2020

2019

2017

2015

2013

2011

2008

2007

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2001

1998

1997

1990

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