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

Molecular Modelling and Bioinformatics publications

Structure and properties of DNA in apolar solvents
Arcella A, Portella G, Collepardo-Guevara R, Chakraborty D, Wales DJ and Orozco M.
J Phys Chem B, 118 (29), 8540-8 (2014)
Chemosensorial G-proteins-coupled receptors: a perspective from computational methods
Musiani F, Rossetti G, Giorgetti A and Carloni P.
Adv Exp Med Biol, 805 441-57 (2014)
Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads
Moncunill V, Gonzalez S, Beà S, Andrieux LO, Salaverria I, Royo C, Martinez L, Puiggròs M, Segura-Wang M, Stütz AM, Navarro A, Royo R, Gelpí JL, Gut IG, López-Otín C, Orozco M, Korbel JO, Campo E, Puente XS and Torrents D.
Nat Biotechnol, 32 (11), 1106-12 (2014)
MD and NMR analyses of choline and TMA binding to duplex DNA: on the origins of aberrant sequence-dependent stability by alkyl cations in aqueous and water-free solvents
Portella G, Germann MW, Hud NV and Orozco M.
J Am Chem Soc, 136 (8), 3075-86 (2014)
The DNA-forming properties of 6-selenoguanine
Faustino I, Curutchet C, Luque FJ and Orozco M.
Phys Chem Chem Phys, 16 (3), 1101-10 (2014)
Direct measurement of the dielectric polarization properties of DNA
Cuervo A, Dans PD, Carrascosa JL, Orozco M, Gomila G and Fumagalli L.
P Natl Acad Sci Usa, 111 (35), E3624-30 (2014)
Correlated motions are a fundamental property of β-sheets
Fenwick RB, Orellana L, Esteban-Martín S, Orozco M and Salvatella X.
Nat Commun, 5 4070 (2014)
High-throughput molecular dynamics simulations: toward a dynamic view of macromolecular structure
Hospital A, and Gelpí J Ll
Wires Comput Mol Sci, 3 364–377 (2013)
Innovations in Biomolecular Modeling and Simulations
Orozco, M.
, 0 1-2 (2013)
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments
Collepardo-Guevara R and Schlick T.
Biochem Soc Trans, 41 (2), 494-500 (2013)

* shared senior authorship