Biblio
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
4D Genome Rewiring during Oncogene-Induced and Replicative Senescence,
, Molecular Cell, 07/2020, Volume 78, Issue 3, p.522 - 538.e9, (2020)
8-Amino guanine accelerates tetramolecular G-quadruplex formation.,
, Chem Commun (Camb), 2008 Jul 7, p.2926-8, (2008)
Ab initio study of naphtho-homologated DNA bases.,
, J Phys Chem B, 2008 Feb 21, Volume 112, p.2179-86, (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)
Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug Design,
, Journal of Chemical Theory and Computation, 2012/00/10, Volume 8, p.2204 - 2214, (2012)
Approaching Elastic Network Models to Molecular Dynamics Flexibility,
, Journal of Chemical Theory and Computation, Volume 6, p.2910-2923, (2010)
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)
AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions,
, Bioinformatics, 2019, Volume 35, Issue 19, p.3836 - 3838, (2019)
Benzoderivatives of nucleic acid bases as modified DNA building blocks.,
, J Phys Chem A, 2006 Jan 19, Volume 110, p.510-8, (2006)
BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows,
, Nature Scientific Data, 09/2019, Volume 6, Issue 1, p.169, (2019)
The BioExcel methodology for developing dynamic, scalable, reliable and portable computational biomolecular workflows,
, 2022 IEEE 18th International Conference on e-Science (e-Science), 12/2022, (2022)
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)
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)
Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.,
, Proteins, 2001 Dec 1, Volume 45, p.428-37, (2001)
COCO: a simple tool to enrich the representation of conformational variability in NMR structures.,
, Proteins, 2009 Apr, Volume 75, p.206-16, (2009)
Comprehensive characterization of complex structural variations in cancer by directly comparing genome sequence reads.,
, Nat Biotechnol, 2014 Nov, Volume 32, p.1106-12, (2014)
A computational and experimental study of O-glycosylation. Catalysis by human UDP-GalNAc polypeptide:GalNAc transferase-T2.,
, Org Biomol Chem, 2014 May 7, Volume 12, p.2645-55, (2014)
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)
Continuum and discrete calculation of fractional contributions to solvation free energy.,
, J Comput Chem, 2003 Oct, Volume 24, p.1610-23, (2003)
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)
Correlated motions in DNA: beyond base-pair step models of DNA flexibility,
, Nucleic Acids Research, 06/2023, Volume 51, Issue 6, p.2633 - 2640, (2023)
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)
Data mining of molecular dynamics trajectories of nucleic acids.,
, J Biomol Struct Dyn, 2006 Feb, Volume 23, p.447-56, (2006)
Data mining of molecular dynamics trajectories of nucleic acids.,
, J Biomol Struct Dyn, 2006 Feb, Volume 23, p.447-56, (2006)
A deletion at ADAMTS9-MAGI1 locus is associated with psoriatic arthritis risk.,
, Ann Rheum Dis, 2015 Oct, Volume 74, p.1875-81, (2015)
Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer’s disease.,
, J Med Chem, 2005 Nov 17, Volume 48, p.7223-33, (2005)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange,
, Digital Discovery, 04/2024, p. - , (2024)
Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model.,
, J Comput Chem, 2006 Nov 30, Volume 27, p.1769-80, (2006)
A DNA methylation map of human cancer at single base-pair resolution,
, Oncogene, 06/2017, p.1-10, (2017)
DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region,
, Nucleic acids research, 09/2019, Volume 47, Issue 12, p.6519 - 6537, (2019)
DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p,
, Nucleic Acids Research, 11/2016, (2016)
The DNA-forming properties of 6-selenoguanine,
, Phys. Chem. Chem. Phys., Volume 16, p.1101-1110, (2014)
DNA-triplex stabilizing properties of 8-aminoguanine,
, Nucleic Acids Research, Volume 28, p.4531-4539, (2000)
Dynamics of B-DNA on the microsecond time scale.,
, J Am Chem Soc, 2007 Nov 28, Volume 129, p.14739-45, (2007)
The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine,
, Nucleic Acids Research, Volume 29, p.2522-2534, (2001)
Effect of divalent cations on the porcine kidney cortex membrane-bound form of dipeptidyl peptidase IV.,
, Int J Biochem Cell Biol, 2011 Mar, Volume 43, p.363-71, (2011)
Electrostatic component of solvation: comparison of SCRF continuum models.,
, J Comput Chem, 2003 Feb, Volume 24, p.284-97, (2003)
The EMBRACE web service collection,
, Nucleic Acids Research, Volume 38, p.W683-W688, (2010)
Energy decomposition in molecular complexes: implications for the treatment of polarization in molecular simulations.,
, J Comput Chem, 2003 Jul 30, Volume 24, p.1263-75, (2003)
Epigenetic loss of RNA-methyltransferase NSUN5 in glioma targets ribosomes to drive a stress adaptive translational program,
, Acta neuropathologica, 12/2019, Volume 138, Issue 6, p.1053 - 1074, (2019)
Epigenetic loss of RNA-methyltransferase NSUN5 in glioma targets ribosomes to drive a stress adaptive translational program,
, Acta neuropathologica, 12/2019, Volume 138, Issue 6, p.1053 - 1074, (2019)
Epigenomic analysis detects aberrant super-enhancer DNA methylation in human cancer,
, Genome Biology, 01/2016, Volume 17, p.11, (2016)
Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia.,
, Nat Genet, 2012 Nov, Volume 44, p.1236-42, (2012)
Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia.,
, Nat Genet, 2012 Nov, Volume 44, p.1236-42, (2012)
Epigenomic analysis detects widespread gene-body DNA hypomethylation in chronic lymphocytic leukemia.,
, Nat Genet, 2012 Nov, Volume 44, p.1236-42, (2012)
Essential Dynamics: A Tool for Efficient Trajectory Compression and Management,
, Journal of Chemical Theory and Computation, 2006/03/01, Volume 2, Issue 2, p.251 - 258, (2006)
Essential Dynamics: A Tool for Efficient Trajectory Compression and Management,
, Journal of Chemical Theory and Computation, 2006/03/01, Volume 2, Issue 2, p.251 - 258, (2006)
Essential role of glutamate 317 in galactosyl transfer by α3GalT: a computational study.,
, Carbohydr Res, 2012 Jul 15, Volume 356, p.204-8, (2012)
Evidence for transcript networks composed of chimeric RNAs in human cells.,
, PLoS One, 2012, Volume 7, p.e28213, (2012)