Accurate prediction of dynamic protein–ligand binding using P-score ranking

Peter E. G. F. Ibrahim, Fabio Zuccotto, Ulrich Zachariae, Ian Gilbert, Mike Bodkin J. Comput. Chem. 2024, 45(20), 1762. Abstract Protein–ligand binding prediction typically relies on docking..

Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments

Dr. Stuart Lang, Dr. Daniel A. Fletcher, Dr. Alain-Pierre Petit, Dr. Nicola Luise, Dr. Paul Fyfe, Dr. Fabio Zuccotto, Dr. David Porter, Dr. Anthony Hope, Dr. Fiona Bellany, Dr...

Acute response to pathogens in the early human placenta at single-cell resolution

Regina Hoo, Elias R. Ruiz-Morales, Iva Kelava, Mukul Rawat, Cecilia Icoresi Mazzeo, Elizabeth Tuck, Carmen Sancho-Serra, Sara Chelaghma, Alexander V...

The first Cryptosporidium meeting: a concerted effort to fight cryptosporidiosis

Wes van Voorhis, Joyce Siwila, Jessica C. Kissinger, Natalia Bayona Vásquez, Guy Robinson, Rodrigo Baptista, Asis Khan, Amandine Guérin, Yi-Wei..

Identification and Validation of Compounds Targeting Leishmania major Leucyl-Aminopeptidase M17

Mirtha E. Aguado, Sandra Carvalho, Mario E. Valdés-Tresanco, De Lin, Norma Padilla-Mejia, Victoriano Corpas-Lopez, Martina Tesařová, Julius Lukeš, David Gray,..

Validation of Trypanosoma cruzi inactivation techniques for laboratory use

Lorna M. MacLean , Mark Ariyanayagam, Lalitha Sastry, Christy Paterson, Manu De Rycker, Alan H. Fairlamb PLOS ONE 19(4): e0300021. https://doi.org/10.1371/journal.pone.0300021..

Phylogenomic reconstruction of Cryptosporidium spp. captured directly from clinical samples reveals extensive genetic diversity

A. Khan, E.V.C. Alves-Ferreira, H. Vogel, S. Botchie, S I. Ayi, M.C. Pawlowic, G. Robinson, R.M. Chalmers, H. Lorenzi, M.E. Grigg bioRxiv 2024.04.17.589752 doi: https://doi.org/10.1101/2024.04.17.589752 Abstract Cryptosporidium is a leading cause of severe diarrhea and mortality in young children and..

The bloodstream form of Trypanosoma brucei displays non-canonical gluconeogenesis

Kovářová, Julie; Moos, Martin; Barrett, Michael P.; Horn, David; Zíková, Alena. PLOS Neglected Tropical Diseases 18(2): e0012007 Abstract Trypanosoma brucei..

Identification of a potent and selective LAPTc inhibitor by RapidFire-Mass Spectrometry, with antichagasic activity

Izquierdo, Maikel; Lin, De; O’Neill, Sandra; Webster, Lauren A.; Paterson, Christy; Thomas, John; Aguado, Mirtha Elisa; Araújo, Enrique Colina; Alpízar-Pedraza,..

Acceleration of infectious disease drug discovery and development using a humanized model of drug metabolism

A. Kenneth MacLeod, Kevin-Sebastien Coquelin, Leticia Huertas, Frederick R.C. Simeons, Jennifer Riley, Patricia Casado, Laura Guijarro, Ruth Casanueva, Laura Frame,..

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