1. Research
  2. Molecular Modelling and Bioinformatics
  3. Molecular Modelling and Bioinformatics publications

Molecular Modelling and Bioinformatics publications

Multiscale simulation of DNA
Dans PD, Walther J, Gómez H and Orozco M.
Curr Opin Struc Biol, 37 29-45 (2016)
Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
Orellana L, Yoluk O, Carrillo O, Orozco M and Lindahl E.
Nat Commun, 7 12575 (2016)
Challenges of docking in large, flexible and promiscuous binding sites
Kotev M, Soliva R and Orozco M.
Bioorgan Med Chem, 24 (20), 4961-4969 (2016)
The Differential Response of Proteins to Macromolecular Crowding
Candotti M and Orozco M.
Plos Comput Biol, 12 (7), e1005040 (2016)
Saturation of recognition elements blocks evolution of new tRNA identities
Saint-Léger A, Bello C, Dans PD, Torres AG, Novoa EM, Camacho N, Orozco M, Kondrashov FA and Ribas de Pouplana L.
Sci Adv, 2 (4), e1501860 (2016)
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data
Shkurti A, Goni R, Andrio P, Breitmoser E, Bethune I, Orozco M, and Laughton CA
SoftwareX (2016)
Computational Prediction of HIV-1 Resistance to Protease Inhibitors
Hosseini A, Alibés A, Noguera-Julian M, Gil V, Paredes R, Soliva R, Orozco M and Guallar V.
J Chem Inf Model, 56 (5), 915-23 (2016)
Long-timescale dynamics of the Drew-Dickerson dodecamer
Dans PD, Danilāne L, Ivani I, Dršata T, Lankaš F, Hospital A, Walther J, Pujagut RI, Battistini F, Gelpí JL, Lavery R and Orozco M.
Nucleic Acids Res, 44 (9), 4052-66 (2016)
Editorial overview: Theory and simulation
Orozco M and Srinivasan N.
Curr Opin Struc Biol (2016)
Rational design of novel N-alkyl-N capped biostable RNA nanostructures for efficient long-term inhibition of gene expression
Terrazas M, Ivani I, Villegas N, Paris C, Salvans C, Brun-Heath I and Orozco M.
Nucleic Acids Res, 44 (9), 4354-67 (2016)

* shared senior authorship