Biblio
] Naphthalene diimide-naphthalimide dyads promote telomere damage by selectively targeting multimeric G-quadruplexes,
, Nucleic Acids Research, 04/2025, Volume 53, Issue 7, p.gkaf301, (2025)
The native ensemble and folding of a protein molten-globule: functional consequence of downhill folding.,
, J Am Chem Soc, 2011 Aug 10, Volume 133, p.12154-61, (2011)
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 nature of DNA hyperchromic effect.,
, J Phys Chem B, 2013 Jul 25, Volume 117, p.8697-704, (2013)
Nature of minor-groove binders-DNA complexes in the gas phase.,
, J Am Chem Soc, 2005 Aug 24, Volume 127, p.11690-8, (2005)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
The need to implement FAIR principles in biomolecular simulations,
, Nature Methods, 04/2025, Volume 22, Issue 4, p.641 - 645, (2025)
A new paradigm for molecular dynamics databases: the COVID-19 database, the legacy of a titanic community effort,
, Nucleic Acids Res, 04/2024, Volume 52, Issue D1, p.D393 - D403, (2024)
Non-coding recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)
Nucleic acid simulations themed issue.,
, Phys Chem Chem Phys, 2009 Dec 7, Volume 11, p.10541-2, (2009)
Nucleic acids in modern molecular therapies: A realm of opportunities for strategic drug design,
, Current Opinion in Structural Biology, 08/2024, Volume 87, p.102838, (2024)
Nucleosome architecture throughout the cell cycle,
, Scientific Reports, 01/2016, Volume 6, p.19729 -, (2016)
Nucleosome Dynamics: a new tool for the dynamic analysis of nucleosome positioning,
, Nucleic Acids Research, 08/2019, (2019)
Nucleotide binding switches the information flow in ras GTPases.,
, PLoS Comput Biol, 2011 Mar, Volume 7, p.e1001098, (2011)
nucleR: a package for non-parametric nucleosome positioning.,
, Bioinformatics, 2011 Aug 1, Volume 27, p.2149-50, (2011)
Omicron mutations increase interdomain interactions and reduce epitope exposure in the SARS-CoV-2 spike,
, iScience, 02/2023, Volume 26, Issue 2, p.105981, (2023)
Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope,
, Proceedings of the National Academy of Sciences, 04/2019, (2019)
Oncogenic mutations at the EGFR ectodomain structurally converge to remove a steric hindrance on a kinase-coupled cryptic epitope,
, Proceedings of the National Academy of Sciences, 04/2019, (2019)
Oncogenic mutations of the EGF-Receptor ectodomain reveal an unexpected mechanism for ligand-independent activation,
, bioRxiv, 09/2014, (2014)
Oncogenic mutations of the EGF-Receptor ectodomain reveal an unexpected mechanism for ligand-independent activation,
, bioRxiv, 09/2014, (2014)
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)
The Origins and the Biological Consequences of the Pur/Pyr DNA·RNA Asymmetry,
, Chem, 04/2019, (2019)
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)
Parmbsc1: a refined force field for DNA simulations.,
, Nat Methods, 2016 Jan, Volume 13, p.55-8, (2016)
Partition of protein solvation into group contributions from molecular dynamics simulations.,
, Proteins, 2005 Jan 1, Volume 58, p.101-9, (2005)
On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling".,
, Acc Chem Res, 2009 Apr 21, Volume 42, p.489-92; discussion 493-7, (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)
Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies.,
, J Comput Aided Mol Des, 2010 Apr, Volume 24, p.281-91, (2010)
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs,
, Journal of the American Chemical Society, 02/2023, Volume 145, Issue 6, p.3696 - 3705, (2023)
Physical properties of naked DNA influence nucleosome positioning and correlate with transcription start and termination sites in yeast.,
, BMC Genomics, 2011, Volume 12, p.489, (2011)
Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B12-based photoreceptor,
, Journal of Biological Chemistry, 11/2018, Volume 293, Issue 46, p.17888 - 17905, (2018)
PMUT: a web-based tool for the annotation of pathological mutations on proteins.,
, Bioinformatics, 2005 Jul 15, Volume 21, p.3176-8, (2005)
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)
Polarization effects in molecular interactions,
, WIREs Comput Mol Sci, 2011, Volume 1, p.844 - 854, (2011)
Predicting the limit of intramolecular H-Bonding with classical molecular dynamics,
, Angewandte Chemie International Edition, 01/2019, (2019)
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)
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case,
, WIREs Computational Molecular Science, 05/2022, Volume In Press, p.e1622, (2022)
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)
Probing allosteric regulations with coevolution-driven molecular simulations,
, Science advances, 10/2021, Volume 7, Issue 37, p.eabj0786 - eabj0786, (2021)
A procedure for identifying homologous alternative splicing events.,
, BMC Bioinformatics, 2007, Volume 8, p.260, (2007)
Properties of triple helices formed by parallel-stranded hairpins containing 8-aminopurines.,
, Nucleic Acids Res, 2002 Jun 15, Volume 30, p.2609-19, (2002)
Protein Flexibility and Synergy of HMG Domains Underlie U-Turn Bending of DNA by TFAM in Solution,
, Biophysical Journal, 05/2018, Volume 114, p.2386 - 2396, (2018)
Protein flexibility from discrete molecular dynamics simulations using quasi-physical potentials.,
, Proteins, 2010 Jan, Volume 78, p.83-94, (2010)