Biblio
] DNA-triplex stabilizing properties of 8-aminoguanine,
, Nucleic Acids Research, Volume 28, p.4531-4539, (2000)
Glutaryl-CoA dehydrogenase deficiency in Spain: evidence of two groups of patients, genetically, and biochemically distinct.,
, Pediatr Res, 2000 Sep, Volume 48, p.315-22, (2000)
Misincorporation of 2'-deoxyoxanosine into DNA: a molecular basis for NO-induced mutagenesis derived from theoretical calculations,
, Nucleic Acids Research, Volume 28, p.4873-4883, (2000)
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)
Sequential amino acid exchange across b(0,+)-like system in chicken brush border jejunum.,
, J Membr Biol, 2001 Apr 1, Volume 180, p.213-20, (2001)
Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety,
, Nucleic Acids Research, Volume 29, p.2973-2985, (2001)
Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study.,
, J Comput Aided Mol Des, 2002 Aug-Sep, Volume 16, p.569-83, (2002)
Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study.,
, J Comput Aided Mol Des, 2002 Aug-Sep, Volume 16, p.569-83, (2002)
Ligand-induced changes in the binding sites of proteins.,
, Bioinformatics, 2002 Jul, Volume 18, p.939-48, (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)
Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformation.,
, J Org Chem, 2003 Jun 13, Volume 68, p.4663-73, (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 study of a new DNA structure: the antiparallel Hoogsteen duplex.,
, J Am Chem Soc, 2003 Nov 26, Volume 125, p.14603-12, (2003)
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)
Cystinuria-specific rBAT(R365W) mutation reveals two translocation pathways in the amino acid transporter rBAT-b0,+AT.,
, Biochem J, 2004 Feb 1, Volume 377, p.665-74, (2004)
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 guanine –> 6-thioguanine substitution in duplexes, triplexes, and tetraplexes.,
, J Am Chem Soc, 2004 Nov 10, Volume 126, p.14642-50, (2004)
Unconventional interactions between water and heterocyclic nitrogens in protein structures.,
, Proteins, 2004 Oct 1, Volume 57, p.1-8, (2004)
Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study.,
, Chemistry, 2005 Aug 19, Volume 11, p.5062-6, (2005)
MST continuum study of the hydration free energies of monovalent ionic species.,
, J Phys Chem B, 2005 Mar 3, Volume 109, p.3565-74, (2005)
Benzoderivatives of nucleic acid bases as modified DNA building blocks.,
, J Phys Chem A, 2006 Jan 19, Volume 110, p.510-8, (2006)
A fast method for the determination of fractional contributions to solvation in proteins.,
, Protein Sci, 2006 Nov, Volume 15, p.2525-33, (2006)
Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives.,
, J Phys Chem A, 2006 Nov 9, Volume 110, p.12249-58, (2006)
Nature of base stacking: reference quantum-chemical stacking energies in ten unique B-DNA base-pair steps.,
, Chemistry, 2006 Mar 20, Volume 12, p.2854-65, (2006)
On the origin of the stereoselectivity in the alkylation of oxazolopiperidone enolates.,
, J Am Chem Soc, 2006 May 24, Volume 128, p.6581-8, (2006)
Dissection of the recognition properties of p38 MAP kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family.,
, J Med Chem, 2007 Jan 25, Volume 50, p.283-93, (2007)
Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitution.,
, Chemistry, 2007, Volume 13, p.1108-16, (2007)
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers.,
, Biophys J, 2007 Jun 1, Volume 92, p.3817-29, (2007)
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers.,
, Biophys J, 2007 Jun 1, Volume 92, p.3817-29, (2007)
Screening of inhibitors of porcine dipeptidyl peptidase IV activity in aqueous extracts from marine organisms,
, Enzyme Microb. Technol., Volume 40, Number {3, SI}, {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, p.414-419, (2007)
Ab initio study of naphtho-homologated DNA bases.,
, J Phys Chem B, 2008 Feb 21, Volume 112, p.2179-86, (2008)
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids.,
, J Phys Chem B, 2008 Jul 10, Volume 112, p.8188-97, (2008)
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids.,
, J Phys Chem B, 2008 Jul 10, Volume 112, p.8188-97, (2008)
Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids.,
, J Phys Chem B, 2008 Jul 10, Volume 112, p.8188-97, (2008)
Induction effects in metal cation-benzene complexes.,
, Phys Chem Chem Phys, 2008 May 21, Volume 10, p.2616-24, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
Interoperability with Moby 1.0–it’s better than sharing your toothbrush!,
, Brief Bioinform, 2008 May, Volume 9, p.220-31, (2008)
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)
Target flexibility: an emerging consideration in drug discovery and design.,
, J Med Chem, 2008 Oct 23, Volume 51, p.6237-55, (2008)
Target flexibility: an emerging consideration in drug discovery and design.,
, J Med Chem, 2008 Oct 23, Volume 51, p.6237-55, (2008)
Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine.,
, J Phys Chem B, 2009 Oct 29, Volume 113, p.14465-72, (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)
The impact of monovalent ion force field model in nucleic acids simulations.,
, Phys Chem Chem Phys, 2009 Dec 7, Volume 11, p.10596-607, (2009)
Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies.,
, J Phys Chem B, 2009 Jul 9, Volume 113, p.9330-4, (2009)
Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields,
, Journal of Chemical Theory and Computation, 2009/09/08, Volume 5, Issue 9, p.2514 - 2530, (2009)