List of works - Sebastian Fernandez-Alberti

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

scientific article published on 20 May 2021

Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility

scientific article published on 28 December 2021

Conformational diversity analysis reveals three functional mechanisms in proteins

scientific article

Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase

article

Evaluating the effect of mutations and ligand binding on transthyretin homotetramer dynamics.

scientific article published on 13 July 2017

Exciton Spatial Dynamics and Self-Trapping in Carbon Nanocages

scientific article published on 16 December 2020

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

scientific article published on 01 December 2020

Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis

scientific article published on 13 April 2020

Fatty Acid and Retinol-Binding Protein: Unusual Protein Conformational and Cavity Changes Dictated by Ligand Fluctuations

scientific article published on 06 August 2019

Intermolecular conical intersections in molecular aggregates

scientific article published on 16 November 2020

Let Digons be Bygones: The Fate of Excitons in Curved π-Systems

scientific article published on 11 December 2018

Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes

scientific article published on 04 July 2019

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

scientific article published on 10 February 2020

PCDB: a database of protein conformational diversity

scientific article

Photoexcitation dynamics in perylene diimide dimers

scientific article published on 01 December 2020

Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software

scientific article published on 13 July 2018

Photoexcited energy relaxation and vibronic couplings in π-conjugated carbon nanorings

scientific article published on 06 July 2020

Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

scientific article published on 17 November 2020

Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks

scientific article published on 01 March 2019

Protein Fluctuations and Cavity Changes Relationship

scientific article published on 20 December 2017

Vibrational energy redistribution during donor-acceptor electronic energy transfer: criteria to identify subsets of active normal modes

scientific article published on 10 August 2020

List of works by Sebastian Fernandez-Alberti