Publications

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452 Publications visible to you, out of a total of 452

Prediction of Drug–Target Binding Kinetics by Comparative Binding Energy Analysis

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Gaurav K. Ganotra, Rebecca C. Wade

Date Published: 29th Oct 2018

Publication Type: Journal

DOI: 10.1021/acsmedchemlett.8b00397

Citation: ACS Med. Chem. Lett. 9(11):1134-1139

Created: 7th Sep 2019 at 12:16, Last updated: 5th Mar 2024 at 21:23

Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections

Molecular and Cellular Modeling

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Abstract

Not specified

Authors: Pasquale Linciano, Cecilia Pozzi, Lucia dello Iacono, Flavio di Pisa, Giacomo Landi, Alessio Bonucci, Sheraz Gul, Maria Kuzikov, Bernhard Ellinger, Gesa Witt, Nuno Santarem, Catarina Baptista, Caio Franco, Carolina B. Moraes, Wolfgang Müller, Ulrike Wittig, Rosaria Luciani, Antony Sesenna, Antonio Quotadamo, Stefania Ferrari, Ina Pöhner, Anabela Cordeiro-da-Silva, Stefano Mangani, Luca Costantino, Maria Paola Costi

Date Published: 17th Oct 2018

Publication Type: Journal

DOI: 10.1021/acs.jmedchem.8b02021

Citation: J. Med. Chem. 62(8):3989-4012

Created: 10th Feb 2020 at 13:23, Last updated: 5th Mar 2024 at 21:24

The trypanocidal benzoxaborole AN7973 inhibits trypanosome mRNA processing

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Daniela Begolo, Isabel M. Vincent, Federica Giordani, Ina Pöhner, Michael J. Witty, Timothy G. Rowan, Zakaria Bengaly, Kirsten Gillingwater, Yvonne Freund, Rebecca C. Wade, Michael P. Barrett, Christine Clayton

Date Published: 25th Sep 2018

Publication Type: Journal

DOI: 10.1371/journal.ppat.1007315

Citation: PLoS Pathog 14(9):e1007315

Created: 7th Sep 2019 at 12:16, Last updated: 5th Mar 2024 at 21:23

Equilibrium model of drug-modulated GagPol-embedded HIV-1 reverse transcriptase dimerization to enhance premature protease activation

Molecular and Cellular Modeling

Abstract

Not specified

Authors: S. Kashif Sadiq, Gilles Mirambeau, Andreas Meyerhans

Date Published: 14th Sep 2018

Publication Type: Journal

DOI: 10.1089/aid.2018.0111

Citation: AIDS Research and Human Retroviruses 34(9):804-807

Created: 7th Sep 2019 at 12:16, Last updated: 5th Mar 2024 at 21:23

Toward an Ensemble View of Chromatosome Structure: A Paradigm Shift from One to Many

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Mehmet Ali Öztürk, Vlad Cojocaru, Rebecca C. Wade

Date Published: 1st Aug 2018

Publication Type: Journal

DOI: 10.1016/j.str.2018.05.009

Citation: Structure 26(8):1050-1057

Created: 7th Sep 2019 at 12:16, Last updated: 5th Mar 2024 at 21:23

Inter-subunit interactions drive divergent dynamics in mammalian and \textitPlasmodium actin filaments

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Ross G. Douglas, Prajwal Nandekar, Julia-Elisabeth Aktories, Hirdesh Kumar, Rebekka Weber, Julia M. Sattler, Mirko Singer, Simone Lepper, S. Kashif Sadiq, Rebecca C. Wade, Friedrich Frischknecht