Search Results - "ULRICH H. E. HANSMANN"

Folding Simulations of the A and B Domains of Protein G by Kouza, Maksim, Hansmann, Ulrich H. E

“…We study wild type and mutants of the A and B domain of protein G using all-atom Go-models. Our data substantiate the usefulness of such simulation for probing…”
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Inter-species cross-seeding: stability and assembly of rat-human amylin aggregates by Berhanu, Workalemahu M, Hansmann, Ulrich H E

“…Diseases such as type 2 diabetes, Alzheimer's and Parkinson's share as common feature the accumulation of mis-folded disease-specific protein aggregates into…”
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Altering the Solubility of the Antibiotic Candidate NisinA Computational Study by Pandey, Preeti, Hansmann, Ulrich H. E, Wang, Feng

“…The growing bacterial resistance to available antibiotics makes it necessary to look for new drug candidates. An example is the lanthionine-containing nisin,…”
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Stability of Osaka Mutant and Wild-Type Fibril Models by Berhanu, Workalemahu M, Alred, Erik J, Hansmann, Ulrich H. E

“…Single amino acid mutations in amyloid-beta (Aβ) peptides can lead to early onset and increased severity of Alzheimer’s disease. An example is the Osaka…”
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Mutations and Seeding of Amylin Fibril-Like Oligomers by Bernhardt, Nathan A, Berhanu, Workalemahu M, Hansmann, Ulrich H. E

“…Seeding a protein solution with preformed fibrils can dramatically enhance the growth rate of amyloids. As the seeds do not need to be of the same protein,…”
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Presence of a SARS-CoV‑2 Protein Enhances Amyloid Formation of Serum Amyloid A by Jana, Asis K, Greenwood, Augustus B, Hansmann, Ulrich H. E

“…A marker for the severeness and disease progress of COVID-19 is overexpression of serum amyloid A (SAA) to levels that in other diseases are associated with a…”
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Optimized Explicit-Solvent Replica Exchange Molecular Dynamics from Scratch by Nadler, Walter, Hansmann, Ulrich H. E

“…Replica exchange molecular dynamics (REMD) simulations have become an important tool to study proteins and other biological molecules in silico. However, such…”
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Effect of Lauric Acid on the Stability of Aβ42 Oligomers by Khatua, Prabir, Jana, Asis K, Hansmann, Ulrich H. E

“…While Alzheimer’s disease is correlated with the presence of Aβ fibrils in patient brains, the more likely agents are their precursors, soluble oligomers that…”
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Efficient sampling of protein structures by model hopping by KWAK, Wooseop, HANSMANN, Ulrich H. E

“…We introduce a novel simulation method, model hopping, that enhances sampling of low-energy configurations in complex systems. The approach is illustrated for…”
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Stability of Human Serum Amyloid A Fibrils by Wang, Wenhua, Hansmann, Ulrich H. E

“…In systemic amyloidosis, serum amyloid A (SAA) fibril deposits cause widespread damages to tissues and organs that eventually may lead to death. A…”
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SARS-COV-2 spike protein fragment eases amyloidogenesis of α-synuclein by Chesney, Andrew D, Maiti, Buddhadev, Hansmann, Ulrich H E

“…Parkinson's disease is accompanied by the presence of amyloids in the brain that are formed of α-synuclein chains. The correlation between COVID-19 and the…”
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Support vector machines for prediction of dihedral angle regions by Zimmermann, Olav, Hansmann, Ulrich H. E.

“…Motivation: Most secondary structure prediction programs target only alpha helix and beta sheet structures and summarize all other structures in the random…”
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Stability of the N‑Terminal Helix and Its Role in Amyloid Formation of Serum Amyloid A by Wang, Wenhua, Xi, Wenhui, Hansmann, Ulrich H. E

“…Colonic amyloidosis is the result of overexpression of the serum amyloid A (SAA) protein in inflammatory bowel disease or colon cancer. Crucial for amyloid…”
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Cleavage, Downregulation, and Aggregation of Serum Amyloid A by Wang, Wenhua, Khatua, Prabir, Hansmann, Ulrich H. E

“…Various diseases cause overexpression of the serum amyloid A (SAA) protein, which in some cases, but not in all cases, leads to amyloidosis as a secondary…”
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Self-Assembly of Phenylalanine-Based Molecules by German, Helen W, Uyaver, Sahin, Hansmann, Ulrich H. E

“…Using molecular dynamics, we study the self-assembly of phenylalanine with charged end-groups at various temperatures and concentrations. As in the case of…”
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The effect of retro-inverse D-amino acid Aβ-peptides on Aβ-fibril formation by Xi, Wenhui, Hansmann, Ulrich H E

“…Peptides build from D-amino acids resist enzymatic degradation. The resulting extended time of biological activity makes them prime candidates for the…”
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Pearl-Necklace-Like Local Ordering Drives Polypeptide Collapse by Majumder, Suman, Hansmann, Ulrich H. E, Janke, Wolfhard

“…The collapse of the polypeptide backbone is an integral part of protein folding. Using polyglycine as a probe, we explore the nonequilibrium pathways of…”
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Bifurcated Hydrogen Bonds and the Fold Switching of Lymphotactin by Khatua, Prabir, Ray, Alan J, Hansmann, Ulrich H. E

“…Lymphotactin (Ltn) exists under physiological conditions in an equilibrium between two interconverting structures with distinct biological functions. Using…”
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Multifunnel Landscape of the Fold-Switching Protein RfaH-CTD by Bernhardt, Nathan A., Hansmann, Ulrich H. E.

“…Proteins such as the transcription factor RfaH can change biological function by switching between distinct three-dimensional folds. RfaH regulates…”
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Ring-like N-fold Models of Aβ42 fibrils by Xi, Wenhui, Hansmann, Ulrich H. E.

“…When assembling as fibrils Aβ 40 peptides can only assume U-shaped conformations while Aβ 42 can also arrange as S-shaped three-stranded chains. We show that…”
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