Biblio
] A multifunctional toolkit for target-directed cancer therapy,
, Chemical Communications, 2019, Volume 55, Issue 6, p.802 - 805, (2019)
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)
Molecular stripping underpins derepression of a toxin–antitoxin system,
, Nat Struct Mol Biol, 2024/03/27, (2024)
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)
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)
Methods to Trace Conformational Transitions,
, Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, p.215 - 244, (2017)
Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop,
, Structure, 01/2017, Volume 25, p.53-65, (2017)
Making Canonical Workflow Building Blocks Interoperable across Workflow Languages,
, Data Intelligence, 2022, p.1 - 16, (2022)
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)
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?,
, Proteins, 2012 Mar, Volume 80, p.703-12, (2012)
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?,
, Proteins, 2012 Mar, Volume 80, p.703-12, (2012)
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?,
, Proteins, 2012 Mar, Volume 80, p.703-12, (2012)
Ligand-induced formation of transient dimers of mammalian 12/15-lipoxygenase: a key to allosteric behavior of this class of enzymes?,
, Proteins, 2012 Mar, Volume 80, p.703-12, (2012)
Ligand-induced changes in the binding sites of proteins.,
, Bioinformatics, 2002 Jul, Volume 18, p.939-48, (2002)
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)
An integrated machine-learning model to predict nucleosome architecture,
, Nucleic Acids Research, 09/2024, Volume 52, Issue 17, p.10132 - 10143, (2024)
Inhibition of Human Enhancer of Zeste Homolog 2 with Tambjamine Analogs,
, Journal of Chemical Information and Modeling, 08/2017, (2017)
Induction effects in metal cation-benzene complexes.,
, Phys Chem Chem Phys, 2008 May 21, Volume 10, p.2616-24, (2008)
Improved nucleic acid descriptors for siRNA efficacy prediction.,
, Nucleic Acids Res, 2013 Feb 1, Volume 41, p.1383-94, (2013)
Improved nucleic acid descriptors for siRNA efficacy prediction.,
, Nucleic Acids Res, 2013 Feb 1, Volume 41, p.1383-94, (2013)
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)
Impact of methylation on the physical properties of DNA.,
, Biophys J, 2012 May 2, Volume 102, p.2140-8, (2012)
Identification of risk loci for Crohn’s disease phenotypes using a genome-wide association study,
, Gastroenterology, 2015 Apr, Volume 148, p.794-805, (2015)
Histone H3 serine-57 is a CHK1 substrate whose phosphorylation affects DNA repair,
, Nature Communications, 08/2023, Volume 14, Issue 1, p.5104, (2023)
Histone H3 serine-57 is a CHK1 substrate whose phosphorylation affects DNA repair,
, Nature Communications, 08/2023, Volume 14, Issue 1, p.5104, (2023)
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations,
, Journal of Chemical Information and Modeling, 12/2022, Volume In press, (2022)
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations,
, Journal of Chemical Information and Modeling, 12/2022, Volume In press, (2022)
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)
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)
Genome-Wide Pathway Analysis Identifies Genetic Pathways Associated with Psoriasis.,
, J Invest Dermatol, 2016 Mar, Volume 136, Issue 3, p.593-602, (2016)
A genome-wide association study on a southern European population identifies a new Crohn’s disease susceptibility locus at RBX1-EP300.,
, Gut, 2013 Oct, Volume 62, p.1440-5, (2013)
A genome-wide association study identifies SLC8A3 as a susceptibility locus for ACPA-positive rheumatoid arthritis.,
, Rheumatology (Oxford), 2016 Jun, Volume 55, p.1106-11, (2016)
Fuzziness and noise in nucleosomal architecture.,
, Nucleic Acids Res, 2014 Apr, Volume 42, p.4934-46, (2014)
Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations,
, Journal of Chemical Theory and Computation, 2012/11/13, Volume 8, p.4707 - 4718, (2012)
A fast method for the determination of fractional contributions to solvation in proteins.,
, Protein Sci, 2006 Nov, Volume 15, p.2525-33, (2006)
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)
Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitution.,
, Chemistry, 2007, Volume 13, p.1108-16, (2007)
Exploring The Conformational Landscape Of Bioactive Small Molecules,
, Journal of Chemical Theory and Computation, 08/2020, (2020)
Exploring the Complete Mutational Space of the LDL receptor LA5 Domain Using Molecular Dynamics: Linking SNPs with Disease Phenotypes in Familial Hypercholesterolemia,
, Human Molecular Genetics, (2016)
Exploration of conformational transition pathways from coarse-grained simulations.,
, Bioinformatics, 2013 Aug 15, Volume 29, p.1980-6, (2013)
Evidence for transcript networks composed of chimeric RNAs in human cells.,
, PLoS One, 2012, Volume 7, p.e28213, (2012)