[HTML][HTML] Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies
NH Rogoża, MA Krupa, P Krupa, AK Sieradzan - Molecules, 2024 - mdpi.com
Fullerenes, particularly C60, exhibit unique properties that make them promising candidates
for various applications, including drug delivery and nanomedicine. However, their …
for various applications, including drug delivery and nanomedicine. However, their …
Use of restraints from consensus fragments of multiple server models to enhance protein-structure prediction capability of the UNRES force field
MA Mozolewska, P Krupa, B Zaborowski… - Journal of Chemical …, 2016 - ACS Publications
Recently, we developed a new approach to protein-structure prediction, which combines
template-based modeling with the physics-based coarse-grained UNited RESidue (UNRES) …
template-based modeling with the physics-based coarse-grained UNited RESidue (UNRES) …
Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization
Abstract Thermotoga maritima Arginine Binding Protein (TmArgBP) is a valuable candidate
for arginine biosensing in diagnostics. This protein is endowed with unusual structural …
for arginine biosensing in diagnostics. This protein is endowed with unusual structural …
Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein
G Smaldone, M Vigorita, A Ruggiero, N Balasco… - … et Biophysica Acta (BBA …, 2016 - Elsevier
Abstract The Arginine Binding Protein isolated from Thermotoga maritima (TmArgBP) is a
protein endowed with several peculiar properties. We have previously shown that TmArgBP …
protein endowed with several peculiar properties. We have previously shown that TmArgBP …
[HTML][HTML] Molecular dynamics of protein A and a WW domain with a united-residue model including hydrodynamic interaction
AG Lipska, SR Seidman, AK Sieradzan… - The Journal of …, 2016 - pubs.aip.org
The folding of the N-terminal part of the B-domain of staphylococcal protein A (PDB ID:
1BDD, a 46-residue three-α-helix bundle) and the formin-binding protein 28 WW domain …
1BDD, a 46-residue three-α-helix bundle) and the formin-binding protein 28 WW domain …
[HTML][HTML] Extension of coarse-grained UNRES force field to treat carbon nanotubes
AK Sieradzan, MA Mozolewska - Journal of Molecular Modeling, 2018 - Springer
Carbon nanotubes (CNTs) have recently received considerable attention because of their
possible applications in various branches of nanotechnology. For their cogent application …
possible applications in various branches of nanotechnology. For their cogent application …
[HTML][HTML] The role of C-terminal helix in the conformational transition of an arginine binding protein
V Santhakumar, NM Mascarenhas - Journal of Structural Biology: X, 2022 - Elsevier
The thermotoga maritima arginine binding protein (TmArgBP) is a periplasmic binding
protein that has a short helix at the C-terminal end (CTH), which is swapped between the …
protein that has a short helix at the C-terminal end (CTH), which is swapped between the …
[HTML][HTML] Reoptimized UNRES potential for protein model quality assessment
Ranking protein structure models is an elusive problem in bioinformatics. These models are
evaluated on both the degree of similarity to the native structure and the folding pathway …
evaluated on both the degree of similarity to the native structure and the folding pathway …
The role of C-terminal helix in the conformational transition of an arginine binding protein
NM Mascarenhas, V Santhakumar - Available at SSRN 4183329 - papers.ssrn.com
The thermotoga maritima arginine binding protein (TmArgBP) is a periplasmic binding
protein that has a short helix at the C-terminal end (CTH), which is swapped between the …
protein that has a short helix at the C-terminal end (CTH), which is swapped between the …
[PDF][PDF] INTERNATIONAL MARINE SCIENCE JOURNAL
L do Carmo Silva, AM Barbosa, IP Tannous, TG Santos… - researchgate.net
Fungal infections increased substantially in the last years, becoming a relevant public health
problem. Many of these infections account for high rates of morbidity and mortality. The …
problem. Many of these infections account for high rates of morbidity and mortality. The …