Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy by Paula Jofily, Pedro G. Pascutti, Pedro H. M. Torres

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Dataset showing the impact of the protonation states on molecular dynamics of HIV protease by Rosemberg O. Soares, Pedro H.M. Torres, Manuela L. da Silva, Pedro G. Pascutti

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Predicted structural mimicry of spike receptor-binding motifs from highly pathogenic human coronaviruses by Christopher A. Beaudoin, Arian R. Jamasb, Ali F. Alsulami, Liviu Copoiu, Andries J. van Tonder, Sharif Hala, Bridget P. Bannerman, Sherine E. Thomas, Sundeep Chaitanya Vedithi, Pedro H.M. Torres, Tom L. Blundell

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Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site by Vitor Mendes, Simon R. Green, Joanna C. Evans, Jeannine Hess, Michal Blaszczyk, Christina Spry, Owain Bryant, James Cory-Wright, Daniel S-H. Chan, Pedro H. M. Torres, Zhe Wang, Navid Nahiyaan, Sandra O’Neill, Sebastian Damerow, John Post, Tracy Bayliss, Sasha L. Lynch, Anthony G. Coyne, Peter C. Ray, Chris Abell, Kyu Y. Rhee, Helena I. M. Boshoff, Clifton E. Barry, Valerie Mizrahi, Paul G. Wyatt, Tom L. Blundell

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