Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group. - Jeremy P. Coe; Nuno M. S. Almeida; Martin J. Paterson (J. Comput. Chem., 2017)

SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics. - Yigitcan Eken; Nuno M. S. Almeida; Cong Wang; Angela K. Wilson (J. Comput. Aided Mol. Des., 2021)

Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA Complex. - Nuno M. S. Almeida; Semiha Kevser Bali; Deepak James; Cong Wang; Angela K. Wilson (J. Chem. Inf. Model., 2023)