Biblio
Can A Denaturant Stabilize DNA? Pyridine Reverses DNA Denaturation in Acidic pH,
, Angewandte Chemie International Edition, Volume 54, p.10488–10491, (2015)
Chromatin Unfolding by Epigenetic Modifications Explained by Dramatic Impairment of Internucleosome Interactions: A Multiscale Computational Study,
, Journal of the American Chemical Society, 2015/08/19, Volume 137, Issue 32, p.10205 - 10215, (2015)
Inntags: small self-structured epitopes for innocuous protein tagging.,
, Nat Methods, 2015 Oct, Volume 12, p.955-8, (2015)
Inntags: small self-structured epitopes for innocuous protein tagging.,
, Nat Methods, 2015 Oct, Volume 12, p.955-8, (2015)
Molecular dynamics simulations: advances and applications.,
, Adv Appl Bioinform Chem, 2015, Volume 8, p.37-47, (2015)
Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins,
, PLoS ONE, 2015/03/27, Volume 10, p.e0119978 -, (2015)
Non-coding recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)
PACSAB: Coarse-Grained Force Field for the Study of Protein-Protein Interactions and Conformational Sampling in Multiprotein Systems.,
, J Chem Theory Comput, 2015 Dec 8, Volume 11, p.5929-38, (2015)
SEABED: Small molEcule activity scanner weB servicE baseD.,
, Bioinformatics, 2015 Mar 1, Volume 31, p.773-5, (2015)
SEABED: Small molEcule activity scanner weB servicE baseD.,
, Bioinformatics, 2015 Mar 1, Volume 31, p.773-5, (2015)
Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties,
, Organic Letters, 11/2015, Volume 17, Issue 21, p.5416 - 5419, (2015)
The structural impact of DNA mismatches.,
, Nucleic Acids Res, 2015 Apr 30, Volume 43, p.4309-21, (2015)
Structure and Dynamics of Oligonucleotides in the Gas Phase,
, Angewandte Chemie International Edition, 01/2015, Volume 54, p.467–471, (2015)
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)
Visualizing phosphodiester-bond hydrolysis by an endonuclease.,
, Nat Struct Mol Biol, 2015 Jan, Volume 22, p.65-72, (2015)
BIGNASim: a NoSQL database structure and analysis portal for nucleic acids simulation data.,
, Nucleic Acids Res, 2016 Jan 4, Volume 44, Issue D1, p.D272-8, (2016)
DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p,
, Nucleic Acids Research, 11/2016, (2016)
Epigenomic analysis detects aberrant super-enhancer DNA methylation in human cancer,
, Genome Biology, 01/2016, Volume 17, p.11, (2016)
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)
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)
Long-timescale dynamics of the Drew-Dickerson dodecamer.,
, Nucleic Acids Res, 2016 May 19, Volume 44, p.4052-66, (2016)
Multiscale simulation of DNA,
, Current Opinions in Structural Biology - Theory and simulation • Macromolecular machines 2016, 02/2016, Volume 37, p.29 - 45, (2016)
Mutations in JMJD1C are involved in Rett syndrome and intellectual disability.,
, Genet Med, 2016 Apr, Volume 18, Issue 4, p.378-85, (2016)
Nucleosome architecture throughout the cell cycle,
, Scientific Reports, 01/2016, Volume 6, p.19729 -, (2016)
Parmbsc1: a refined force field for DNA simulations.,
, Nat Methods, 2016 Jan, Volume 13, p.55-8, (2016)
Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations,
, Nat Commun, 2016/08/31, Volume 7, (2016)
Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations,
, Nat Commun, 2016/08/31, Volume 7, (2016)
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data,
, SoftwareX, 12/2016, Volume 5, p.44 - 50, (2016)
Rational design of novel N-alkyl-N capped biostable RNA nanostructures for efficient long-term inhibition of gene expression,
, Nucleic Acids Research, 11/2016, Volume 44, p.4354-4367, (2016)
Residues Coevolution Guides the Systematic Identification of Alternative Functional Conformations in Proteins,
, Structure, Volume 24, p.116 - 126, (2016)
Small Details Matter: The 2′-Hydroxyl as a Conformational Switch in RNA,
, Journal of the American Chemical Society, 12/2016, Volume 138, Issue 50, p.16355 - 16363, (2016)
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations,
, eLife, 04/2017, Volume 6, p.e22175, (2017)
Chapter 7 Molecular Modelling of Nucleic Acids,
, Computational Tools for Chemical Biology, p.165 - 197, (2017)
Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry,
, ACS Central Science, 05/2017, Volume 3, Issue 5, p.454 - 461, (2017)
Discrete Molecular Dynamics Approach to the Study of Disordered and Aggregating Proteins,
, Journal of Chemical Theory and Computation, 03/2017, Volume 13, Issue 3, p.1454 - 1461, (2017)
A DNA methylation map of human cancer at single base-pair resolution,
, Oncogene, 06/2017, p.1-10, (2017)
Efficient siRNA-peptide conjugation for specific targeted delivery into tumor cells,
, Chemical Communications, 03/2017, Volume 53, Issue 19, p.2870 - 2873, (2017)
How accurate are accurate force-fields for B-DNA?,
, Nucleic Acids Research, 01/2017, Volume 45, Issue 7, p.4217-4230, (2017)
Inhibition of Human Enhancer of Zeste Homolog 2 with Tambjamine Analogs,
, Journal of Chemical Information and Modeling, 08/2017, (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)
Methods to Trace Conformational Transitions,
, Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, p.215 - 244, (2017)
The Multiple Roles of Waters in Protein Solvation,
, The Journal of Physical Chemistry B, 01/2017, Issue Klaus Schulten Memorial Issue, (2017)
PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update,
, Nucleic Acids Research, 04/2017, Volume 45, Issue W1, p.W222-W228, (2017)
Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH,
, Journal of the American Chemical Society, 11/2017, Volume 139, Issue 40, p.13985 - 13988, (2017)
Principles for designing proteins with cavities formed by curved β sheets,
, Science (New York, N.Y.), 01/2017, Volume 355, Issue 6321, p.201 - 206, (2017)
Proton Dynamics in Protein Mass Spectrometry,
, The Journal of Physical Chemistry Letters, 03/2017, Volume 8, Issue 6, p.1105 - 1112, (2017)
Quantification of Pathway Cross-talk Reveals Novel Synergistic Drug Combinations for Breast Cancer,
, Cancer Research, 01/2017, Volume 77, Issue 2, p.459, (2017)
Repair of UV-Induced DNA Damage Independent of Nucleotide Excision Repair Is Masked by MUTYH,
, Molecular Cell, 11/2017, Volume 68, Issue 4, p.797 - 807, (2017)
Repair of UV-Induced DNA Damage Independent of Nucleotide Excision Repair Is Masked by MUTYH,
, Molecular Cell, 11/2017, Volume 68, Issue 4, p.797 - 807, (2017)
The Role of Unconventional Hydrogen Bonds in Determining BII Propensities in B-DNA,
, The Journal of Physical Chemistry Letters, 01/01/2017, Volume 8, p.21 - 28, (2017)