Browsing by Author "Soto Delgado, Jorge"
Now showing items 1-3 of 3
-
Examining the compatibility of collagen and a polythiophene derivative for the preparation of bioactive platforms
(2015-01-09)
Article
Open AccessFundamental characteristics of bioactive platforms based on biocomposites of poly(3,4-ethylenedioxythiophene) (PEDOT) and collagen, named P(EDOT:CLG), have been examined using an experimental–computational approach. The ... -
Ion-ion repulsions and charge-shielding effects dominate the permeation mechanism through the OmpF porin channel
(American Chemical Society (ACS), 2019-01-01)
Article
Open Access -
Multiscale treatment for the molecular mechanism of a diels-alder reaction in solution: A QM/MM-MD study
(2016-10-01)
Article
Restricted access - publisher's policyThermodynamics and the solvent role in the acceleration of the Diels–Alder reaction between cyclopentadiene (CPD) and methyl vinyl ketone (MVK) have been revisited. In this work we use an ab initio hybrid QM/MM-MD scheme ...
