Biblio
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 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 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 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 the Hoogsteen-Watson-Crick junctions in DNA.,
, Biophys J, 2006 Feb 1, Volume 90, p.1000-8, (2006)
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 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)
A theoretical view of protein dynamics,
, Chem. Soc. Rev., Volume 43, p.5051-5066, (2014)
Thorough validation of protein normal mode analysis: a comparative study with essential dynamics.,
, Structure, 2007 May, Volume 15, p.565-75, (2007)
Toward a consensus view of duplex RNA flexibility.,
, Biophys J, 2010 Sep 22, Volume 99, p.1876-85, (2010)
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)
Towards a molecular dynamics consensus view of B-DNA flexibility.,
, Nucleic Acids Res, 2008 Apr, Volume 36, p.2379-94, (2008)
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)
Triplex formation using oligonucleotide clamps carrying 8-aminopurines.,
, Nucleosides Nucleotides Nucleic Acids, 2007, Volume 26, p.979-83, (2007)
Triplex-forming oligonucleotide target sequences in the human genome.,
, Nucleic Acids Res, 2004, Volume 32, p.354-60, (2004)
Unconventional interactions between water and heterocyclic nitrogens in protein structures.,
, Proteins, 2004 Oct 1, Volume 57, p.1-8, (2004)
Understanding the Connection between Epigenetic DNA Methylation and Nucleosome Positioning from Computer Simulations,
, PLoS Comput Biol, 11, Volume 9, p.e1003354, (2013)
Unique tautomeric and recognition properties of thioketothymines?,
, J Am Chem Soc, 2009 Sep 9, Volume 131, p.12845-53, (2009)
Unique tautomeric properties of isoguanine.,
, J Am Chem Soc, 2004 Jan 14, Volume 126, p.154-64, (2004)
Unraveling the sequence-dependent polymorphic behavior of d(CpG) steps in B-DNA,
, Nucleic Acid Research, 09/2014, (2014)
Unravelling the hidden DNA structural/physical code provides novel insights on promoter location.,
, Nucleic Acids Res, 2013 Aug, Volume 41, p.7220-30, (2013)
Use of bioinformatics tools for the annotation of disease-associated mutations in animal models.,
, Proteins, 2005 Dec 1, Volume 61, p.878-87, (2005)
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)
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)
VeriNA3d: an R package for nucleic acids data mining,
, Bioinformatics, 07/2019, (2019)
Visualizing phosphodiester-bond hydrolysis by an endonuclease.,
, Nat Struct Mol Biol, 2015 Jan, Volume 22, p.65-72, (2015)
Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2011 Jul 7, Volume 475, p.101-5, (2011)
Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2011 Jul 7, Volume 475, p.101-5, (2011)
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)
The Yottaflop Frontier of Atomistic Molecular Dynamics Simulations,
, Theoretical and Quantum Chemistry at the Dawn of the 21st Century, p.597-616, (2018)
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)
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)