35 citations · 37 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 2 cited
Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study
Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa +1
The local intermolecular structure and related dynamics in the liquid cis-trans N-methylformamide mixture at ambient temperature and density conditions have been systematically stu…
physics.bio-ph2008★ 35 cited
Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations
Lucy Heady, Marivi Fernandez-Serra, Ricardo L. Mancera +6
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human genome is impeded by a poor understanding of the structural basis for the activity…