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Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 46
Journal Article
FEBS letters, ISSN 0014-5793, 07/2019
We use all-atom modeling and advanced-sampling molecular dynamics simulations to investigate quantitatively the effect of peptide bond directionality on the... 
Journal Article
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 07/2015, Volume 83, Issue 7, pp. 1307 - 1315
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 07/2019, Volume 87, Issue 7, pp. 569 - 578
We study computationally a family of β‐hairpin peptides with systematically introduced chiral inversions, in explicit water, and we investigate the extent to... 
advanced sampling | chiral inversion | β‐hairpin folding | all‐atom simulations | GB1 | D‐amino acids | Stability | Aqueous solutions | Peptides | Inversions | Secondary structure | Protein structure | Structure-function relationships
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2015, Volume 11, Issue 6, pp. 2776 - 2782
Intrinsically disordered proteins (IDPs), which are expected to be largely unstructured under physiological conditions, make up a large fraction of eukaryotic... 
ENSEMBLE | DISTRIBUTIONS | HUMAN AMYLIN | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPLEMENTATION | CHEMISTRY, PHYSICAL | UNFOLDED PROTEINS | SIMULATIONS | EFFICIENT | AGGREGATION | WATER | CONFORMATIONS | Temperature | Islet Amyloid Polypeptide - chemistry | Humans | Molecular Dynamics Simulation
Journal Article
The EMBO Journal, ISSN 0261-4189, 10/2017, Volume 36, Issue 20, pp. 2951 - 2967
Neuronal inclusions of aggregated RNA‐binding protein fused in sarcoma (FUS) are hallmarks of ALS and frontotemporal dementia subtypes. Intriguingly, FUS's... 
frontotemporal dementia | prion | intrinsically disordered protein | ribonucleoprotein granule | amyotrophic lateral sclerosis | NEURODEGENERATIVE DISEASE | PRION-LIKE DOMAINS | BIOCHEMISTRY & MOLECULAR BIOLOGY | DISORDERED PROTEINS | AMYOTROPHIC-LATERAL-SCLEROSIS | WILD-TYPE FUS | CELL BIOLOGY | RNA-BINDING PROTEINS | CELL-FREE FORMATION | MOTOR-NEURON DEGENERATION | C-TERMINAL DOMAIN | STRESS GRANULES | RNA-Binding Protein FUS - chemistry | Cell Line | Amyotrophic Lateral Sclerosis - pathology | Phosphorylation | Magnetic Resonance Spectroscopy | Humans | Protein Conformation | Protein Processing, Post-Translational | RNA-Binding Protein FUS - metabolism | Protein Aggregation, Pathological | Frontotemporal Dementia - pathology | Cell culture | Salts | Yeast | Nuclear magnetic resonance--NMR | Self-association | Toxicity | DNA damage | Cytotoxicity | Agglomeration | Kinases | Complexity | Magnetic resonance spectroscopy | Proteins | FUS protein | Neurotoxicity | Post-translation | Dementia disorders | Deoxyribonucleic acid--DNA | Spectroscopy | Sarcoma | Therapeutic applications | Amyotrophic lateral sclerosis | Pharmacology | Ribonucleic acid--RNA | RNA-binding protein | DNA-dependent protein kinase | Phase separation | Frontotemporal dementia | Protein interaction | 60 APPLIED LIFE SCIENCES | Neuroscience | Protein Biosynthesis & Quality Control
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 07/2014, Volume 118, Issue 29, pp. 8914 - 8915
Journal Article
Biophysical Journal, ISSN 0006-3495, 10/2014, Volume 107, Issue 7, p. 1654
  Single-molecule Forster resonance energy transfer (FRET) experiments are often used to study the properties of unfolded and intrinsically disordered... 
Molecules | Simulation | Protein folding | Technology transfer
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, ISSN 1948-7185, 05/2019, Volume 10, Issue 9, pp. 2227 - 2234
Experimental studies on intrinsically disordered and unfolded proteins have shown that in isolation they typically have low populations of secondary structure... 
WATER MODEL | ENSEMBLE | FOLDING SIMULATIONS | SEQUENCE DETERMINANTS | RECOGNITION | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMICAL DENATURANTS | INTRINSICALLY DISORDERED PROTEINS | HELIX-COIL TRANSITION | MOLECULAR-DYNAMICS SIMULATIONS | BACKBONE
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 12/2013, Volume 117, Issue 50, pp. 16066 - 16075
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 05/2018, Volume 122, Issue 19, pp. 10592 - 10599
Many nanomaterials are promising biosensor elements due to capabilities for transduction of biomolecular interactions into an electrical or optical signal.... 
MOLECULAR-DYNAMICS | FLUORESCENCE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | DNA CONFORMATIONAL POLYMORPHISM | SIMULATION | CANCER | IN-VITRO DIAGNOSTICS | HYBRIDS | Science & Technology - Other Topics | Chemistry | Materials Science
Journal Article