35 citations · 35 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.soft2004
Two exchange-correlation functionals compared for first-principles liquid water
M. V. Fernandez-Serra, G. Ferlat, Emilio Artacho
The first-principles description of liquid water using ab initio molecular dynamics (AIMD) based on Density Functional theory (DFT) has recently been found to require long equilibr…