Biblio
Found 23 results
Author Title [ Year] Filters: Author is Modesto Orozco and First Letter Of Title is C [Clear All Filters]
Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.,
, Proteins, 2001 Dec 1, Volume 45, p.428-37, (2001)
Cooperativity in Drug-DNA Recognition: A Molecular Dynamics Study,
, Journal of the American Chemical Society, 2001/12/01, Volume 123, Issue 50, p.12658 - 12663, (2001)
Characterization of disease-associated single amino acid polymorphisms in terms of sequence and structure properties.,
, J Mol Biol, 2002 Jan 25, Volume 315, p.771-86, (2002)
Continuum and discrete calculation of fractional contributions to solvation free energy.,
, J Comput Chem, 2003 Oct, Volume 24, p.1610-23, (2003)
Characterization of compensated mutations in terms of structural and physico-chemical properties.,
, J Mol Biol, 2007 Jan 5, Volume 365, p.249-56, (2007)
A consensus view of protein dynamics.,
, Proc Natl Acad Sci U S A, 2007 Jan 16, Volume 104, p.796-801, (2007)
COCO: a simple tool to enrich the representation of conformational variability in NMR structures.,
, Proteins, 2009 Apr, Volume 75, p.206-16, (2009)
Comparison of molecular dynamics and superfamily spaces of protein domain deformation.,
, BMC Struct Biol, 2009, Volume 9, p.6, (2009)
Conformationally rigid nucleoside probes help understand the role of sugar pucker and nucleobase orientation in the thrombin-binding aptamer.,
, Nucleic Acids Res, 2009 Sep, Volume 37, p.5589-601, (2009)
Coarse-grained representation of protein flexibility. Foundations, successes, and shortcomings.,
, Adv Protein Chem Struct Biol, 2011, Volume 85, p.183-215, (2011)
Characterization of the impact of alternative splicing on protein dynamics: the cases of glutathione S-transferase and ectodysplasin-A isoforms.,
, Proteins, 2012 Aug, Volume 80, p.2235-49, (2012)
Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field,
, Journal of Chemical Theory and Computation, 2013/01/08, Volume 9, Issue 1, p.119 - 125, (2012)
The catalytic site structural gate of adenosine deaminase allosterically modulates ligand binding to adenosine receptors.,
, FASEB J, 2013 Mar, Volume 27, p.1048-61, (2013)
Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale.,
, Nucleic Acids Res, 2013 Feb 1, Volume 41, p.2723-35, (2013)
The Conformational Landscape of an Intrinsically Disordered DNA-Binding Domain of a Transcription Regulator.,
, The Journal of Physical Chemistry B, 2013/00/15, (2013)
Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads.,
, Nat Biotechnol, 2014 Nov, Volume 32, p.1106-12, (2014)
Correlated motions are a fundamental property of B-sheets,
, Nat Commun, 10/2014, Volume 5, (2014)
Can A Denaturant Stabilize DNA? Pyridine Reverses DNA Denaturation in Acidic pH,
, Angewandte Chemie International Edition, Volume 54, p.10488–10491, (2015)
Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study,
, Journal of the American Chemical Society, 2015/08/19, Volume 137, Issue 32, p.10205 - 10215, (2015)
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations,
, eLife, 04/2017, Volume 6, p.e22175, (2017)
Chapter 7 Molecular Modelling of Nucleic Acids,
, Computational Tools for Chemical Biology, p.165 - 197, (2017)
Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry,
, ACS Central Science, 05/2017, Volume 3, Issue 5, p.454 - 461, (2017)
Challenges and guidelines toward 4D nucleome data and model standards,
, Nature Genetics, 10/2018, Volume 50, Issue 10, p.1352 - 1358, (2018)