Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy

by Paula Jofily, Pedro G. Pascutti, Pedro H. M. Torres
Published 2021-02-01

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
Published 2016-09-01

Key Topics in Molecular Docking for Drug Design

by Pedro H. M. Torres, Ana C. R. Sodero, Paula Jofily, Floriano P. Silva-Jr
Published 2019-09-01

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
Published 2021-01-01

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
Published 2021-01-01