Browsing by Author "Saen-oon, Suwipa"
A theoretical multiscale treatment of protein-protein electron transfer: the ferredoxin/ferredoxin-NADP+ reductase and flavodoxin/ferredoxin-NADP+ reductase systems Saen-oon, Suwipa; Cabeza de Vaca, Israel; Medina, Milagros; Guallar, Victor (Elsevier, 2015-12)
Open AccessIn the photosynthetic electron transfer (ET) chain, two electrons transfer from photosystem I to the flavin- dependent ferredoxin-NADP+ reductase (FNR) via two sequential independent ferredoxin (Fd) electron carriers. In ...
Iglesias, Jelisa; Saen-oon, Suwipa; Soliva, Robert; Guallar, Victor (Wiley, 2018-04-29)
Open AccessThe role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing ...
Hernandez, Gabriela; Iglesias, Jelisa; Saen-oon, Suwipa (Barcelona Supercomputing Center, 2015-05-05)
Open AccessPredicting protein-ligand binding affinities constitutes a key computational method in the early stages of the drug discovery process. Molecular docking programs attempt to predict them by using mathematical approximations, ...