Biblio
μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA.,
, Nucleic Acids Res, 2014 Oct 29, Volume 42, p.12272-83, (2014)
The Yottaflop Frontier of Atomistic Molecular Dynamics Simulations,
, Theoretical and Quantum Chemistry at the Dawn of the 21st Century, p.597-616, (2018)
X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water.,
, J Chem Theory Comput, 2009 Feb 17, Volume 5, p.459-467, (2009)
Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2011 Jul 7, Volume 475, p.101-5, (2011)
Visualizing phosphodiester-bond hydrolysis by an endonuclease.,
, Nat Struct Mol Biol, 2015 Jan, Volume 22, p.65-72, (2015)
VeriNA3d: an R package for nucleic acids data mining,
, Bioinformatics, 07/2019, (2019)
On the Use of low-resolution Data to Improve Structure Prediction of Proteins and Protein Complexes,
, Journal of Chemical Theory and Computation, 2009/11/10, Volume 5, Issue 11, p.3129 - 3137, (2009)
The use of conformationally rigid nucleoside probes to study the role of sugar pucker and nucleobase orientation in the thrombin binding aptamer.,
, Nucleic Acids Symp Ser (Oxf), 2009, p.109-10, (2009)
Use of bioinformatics tools for the annotation of disease-associated mutations in animal models.,
, Proteins, 2005 Dec 1, Volume 61, p.878-87, (2005)
Unravelling the hidden DNA structural/physical code provides novel insights on promoter location.,
, Nucleic Acids Res, 2013 Aug, Volume 41, p.7220-30, (2013)
Unraveling the sequence-dependent polymorphic behavior of d(CpG) steps in B-DNA,
, Nucleic Acid Research, 09/2014, (2014)
Unique tautomeric properties of isoguanine.,
, J Am Chem Soc, 2004 Jan 14, Volume 126, p.154-64, (2004)
Unique tautomeric and recognition properties of thioketothymines?,
, J Am Chem Soc, 2009 Sep 9, Volume 131, p.12845-53, (2009)
Understanding the Connection between Epigenetic DNA Methylation and Nucleosome Positioning from Computer Simulations,
, PLoS Comput Biol, 11, Volume 9, p.e1003354, (2013)
Unconventional interactions between water and heterocyclic nitrogens in protein structures.,
, Proteins, 2004 Oct 1, Volume 57, p.1-8, (2004)
Triplex-forming oligonucleotide target sequences in the human genome.,
, Nucleic Acids Res, 2004, Volume 32, p.354-60, (2004)
Triplex formation using oligonucleotide clamps carrying 8-aminopurines.,
, Nucleosides Nucleotides Nucleic Acids, 2007, Volume 26, p.979-83, (2007)
Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study.,
, J Comput Chem, 2003 Jan 15, Volume 24, p.32-45, (2003)
Towards a molecular dynamics consensus view of B-DNA flexibility.,
, Nucleic Acids Res, 2008 Apr, Volume 36, p.2379-94, (2008)
Toward an atomistic description of the urea-denatured state of proteins.,
, Proc Natl Acad Sci U S A, 2013 Apr 9, Volume 110, p.5933-8, (2013)
Toward a consensus view of duplex RNA flexibility.,
, Biophys J, 2010 Sep 22, Volume 99, p.1876-85, (2010)
Thorough validation of protein normal mode analysis: a comparative study with essential dynamics.,
, Structure, 2007 May, Volume 15, p.565-75, (2007)
A theoretical view of protein dynamics,
, Chem. Soc. Rev., Volume 43, p.5051-5066, (2014)
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism.,
, J Am Chem Soc, 2005 Mar 30, Volume 127, p.4433-44, (2005)
Theoretical study of the mechanisms of substrate recognition by catalase.,
, J Am Chem Soc, 2001 Oct 3, Volume 123, p.9665-72, (2001)
Theoretical study of the Hoogsteen-Watson-Crick junctions in DNA.,
, Biophys J, 2006 Feb 1, Volume 90, p.1000-8, (2006)
Theoretical study of the guanine –> 6-thioguanine substitution in duplexes, triplexes, and tetraplexes.,
, J Am Chem Soc, 2004 Nov 10, Volume 126, p.14642-50, (2004)
Theoretical study of large conformational transitions in DNA: the B<–>A conformational change in water and ethanol/water.,
, Nucleic Acids Res, 2007, Volume 35, p.3330-8, (2007)
Theoretical study of anion binding to calix[4]pyrrole: the effects of solvent, fluorine substitution, cosolute, and water traces.,
, J Am Chem Soc, 2002 Oct 30, Volume 124, p.12796-805, (2002)
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment.,
, J Org Chem, 2002 Oct 4, Volume 67, p.7057-65, (2002)
Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplex.,
, J Am Chem Soc, 2003 Nov 26, Volume 125, p.14603-12, (2003)
Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?,
, J Med Chem, 2003 Apr 10, Volume 46, p.1372-82, (2003)
Theoretical methods for the simulation of nucleic acids.,
, Chem Soc Rev, 2003 Nov, Volume 32, p.350-64, (2003)
Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems.,
, Chem Rev, 2000 Nov 8, Volume 100, p.4187-4226, (2000)
Theoretical characterization of the dynamical behavior and transport properties of alpha,gamma-peptide nanotubes in solution.,
, J Am Chem Soc, 2009 Nov 4, Volume 131, p.15678-86, (2009)
Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility.,
, J Am Chem Soc, 2008 Mar 19, Volume 130, p.3486-96, (2008)
Targeting RNA structure in SMN2 reverses spinal muscular atrophy molecular phenotypes,
, Nature Communication, 2018/05/23, Volume 9, Issue 1, p.2032, (2018)
Target flexibility: an emerging consideration in drug discovery and design.,
, J Med Chem, 2008 Oct 23, Volume 51, p.6237-55, (2008)
A systematic study of the energetics involved in structural changes upon association and connectivity in protein interaction networks.,
, Structure, 2011 Jun 8, Volume 19, p.881-9, (2011)
A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA.,
, Nucleic Acids Res, 2010 Jan, Volume 38, p.299-313, (2010)
A synthetic genetic polymer with an uncharged backbone chemistry based on alkyl phosphonate nucleic acids,
, Nature Chemistry, 04/2019, (2019)
Synthesis and Properties of 2'-Deoxy-2',4'-difluoroarabinose-Modified Nucleic Acids,
, The Journal of Organic Chemistry, 2015/03/20, Volume 80, Issue 6, p.3083 - 3091, (2015)
Structure-directed reversion in the pi-facial stereoselective alkylation of chiral bicyclic lactams.,
, J Org Chem, 2008 Oct 3, Volume 73, p.7756-63, (2008)
Structure, Stiffness and Substates of the Dickerson-Drew Dodecamer.,
, J Chem Theory Comput, 2013, Volume 9, p.707-721, (2013)
Structure, recognition properties, and flexibility of the DNA.RNA hybrid.,
, J Am Chem Soc, 2005 Apr 6, Volume 127, p.4910-20, (2005)
Structure of triplex DNA in the gas phase.,
, J Am Chem Soc, 2012 Apr 18, Volume 134, p.6596-606, (2012)
The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane.,
, J Biol Chem, 2007 Oct 26, Volume 282, p.31444-52, (2007)
Structure and properties of DNA in apolar solvents,
, J Phys Chem B, 2014 Jul 24, Volume 118, p.8540-8, (2014)
Structure and Dynamics of Oligonucleotides in the Gas Phase,
, Angewandte Chemie International Edition, 01/2015, Volume 54, p.467–471, (2015)
The structure and dynamics of DNA in the gas phase.,
, J Am Chem Soc, 2003 Jul 2, Volume 125, p.8007-14, (2003)