Biblio
Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis.,
, J Biol Chem, 2009 May 22, Volume 284, p.14457-68, (2009)
Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes.,
, Hum Mol Genet, 2012 Oct 15, Volume 21, p.4549-57, (2012)
Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes.,
, Hum Mol Genet, 2012 Oct 15, Volume 21, p.4549-57, (2012)
Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes.,
, Hum Mol Genet, 2012 Oct 15, Volume 21, p.4549-57, (2012)
Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes.,
, Hum Mol Genet, 2012 Oct 15, Volume 21, p.4549-57, (2012)
Retaining glycosyltransferase mechanism studied by QM/MM methods: lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition state.,
, J Am Chem Soc, 2012 Mar 14, Volume 134, p.4743-52, (2012)
Residues Coevolution Guides the Systematic Identification of Alternative Functional Conformations in Proteins,
, Structure, Volume 24, p.116 - 126, (2016)
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)
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)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, Volume 100, p.-, (2015)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, Volume 100, p.-, (2015)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, p.-, (2015)
QM/MM Studies Reveal How Substrate–Substrate and Enzyme–Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism,
, Advances in Protein Chemistry and Structural Biology, p.-, (2015)
Proteins in the gas phase,
, WIREs Computational Molecular Science, Volume 3, p.408-425, (2013)
Protein flexibility from discrete molecular dynamics simulations using quasi-physical potentials.,
, Proteins, 2010 Jan, Volume 78, p.83-94, (2010)
Properties of triple helices formed by parallel-stranded hairpins containing 8-aminopurines.,
, Nucleic Acids Res, 2002 Jun 15, Volume 30, p.2609-19, (2002)
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)
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)
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)
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)
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)
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)
Partition of protein solvation into group contributions from molecular dynamics simulations.,
, Proteins, 2005 Jan 1, Volume 58, p.101-9, (2005)
Partition of protein solvation into group contributions from molecular dynamics simulations.,
, Proteins, 2005 Jan 1, Volume 58, p.101-9, (2005)
Non-coding recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)
Non-coding recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)
Non-coding recurrent mutations in chronic lymphocytic leukaemia.,
, Nature, 2015 Oct 22, Volume 526, p.519-24, (2015)
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)
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.,
, Angew Chem Int Ed Engl, 2015 Aug 17, Volume 54, p.9898-902, (2015)
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.,
, Angew Chem Int Ed Engl, 2015 Aug 17, Volume 54, p.9898-902, (2015)
A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.,
, Angew Chem Int Ed Engl, 2015 Aug 17, Volume 54, p.9898-902, (2015)
Mutations in JMJD1C are involved in Rett syndrome and intellectual disability.,
, Genet Med, 2016 Apr, Volume 18, Issue 4, p.378-85, (2016)
Mutations in JMJD1C are involved in Rett syndrome and intellectual disability.,
, Genet Med, 2016 Apr, Volume 18, Issue 4, p.378-85, (2016)
Mutation in KARS: A novel mechanism for severe anaphylaxis,
, Journal of Allergy and Clinical Immunology, 05/2021, Volume 147, Issue 5, p.1855 - 1864.e9, (2021)
Mutation in KARS: A novel mechanism for severe anaphylaxis,
, Journal of Allergy and Clinical Immunology, 05/2021, Volume 147, Issue 5, p.1855 - 1864.e9, (2021)
Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer’s disease.,
, Curr Pharm Des, 2004, Volume 10, p.3131-40, (2004)
Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins,
, PLoS ONE, 2015/03/27, Volume 10, p.e0119978 -, (2015)
Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins,
, PLoS ONE, 2015/03/27, Volume 10, p.e0119978 -, (2015)
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)
Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA,
, RSC Chemical Biology, 05/2023, p. - , (2023)
Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions,
, Journal of Chemical Information and Modeling, 04/2017, Volume 57, Issue 4, p.846 - 863, (2017)
Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions,
, Journal of Chemical Information and Modeling, 04/2017, Volume 57, Issue 4, p.846 - 863, (2017)
Molecular basis of Arginine and Lysine DNA sequence-dependent thermo-stability modulation,
, PLoS computational biology, 01/2022, Volume 18, Issue 1, p.e1009749 - e1009749, (2022)
Modulation of drug cytotoxicity by reintroduction of wild-type p53 gene (Ad5CMV-p53) in human pancreatic cancer.,
, Cancer Gene Ther, 2000 Apr, Volume 7, p.545-56, (2000)
MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories.,
, Structure, 2010 Nov 10, Volume 18, p.1399-409, (2010)
MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution,
, Nat Struct Mol Biol , 10/2022, Volume in press, (2022)
Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?,
, Proteins, 2004 Nov 15, Volume 57, p.458-67, (2004)
Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?,
, Proteins, 2004 Nov 15, Volume 57, p.458-67, (2004)
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)