Computational modeling of membrane proteins
J Koehler Leman, MB Ulmschneider… - … Structure, Function, and …, 2015 - Wiley Online Library
The determination of membrane protein (MP) structures has always trailed that of soluble
proteins due to difficulties in their overexpression, reconstitution into membrane mimetics …
proteins due to difficulties in their overexpression, reconstitution into membrane mimetics …
T-cell epitope prediction methods: an overview
DV Desai, U Kulkarni-Kale - Immunoinformatics, 2014 - Springer
The scientific community is overwhelmed by the voluminous increase in the quantum of data
on biological systems, including but not limited to the immune system. Consequently …
on biological systems, including but not limited to the immune system. Consequently …
An integrated framework advancing membrane protein modeling and design
Membrane proteins are critical functional molecules in the human body, constituting more
than 30% of open reading frames in the human genome. Unfortunately, a myriad of …
than 30% of open reading frames in the human genome. Unfortunately, a myriad of …
Small-molecule ligand docking into comparative models with Rosetta
Abstract Structure-based drug design is frequently used to accelerate the development of
small-molecule therapeutics. Although substantial progress has been made in X-ray …
small-molecule therapeutics. Although substantial progress has been made in X-ray …
[HTML][HTML] Production, purification, and characterization of a novel milk-clotting metalloproteinase produced by Bacillus velezensis YH-1 isolated from traditional Jiuqu
Y Wang, T Aziz, G Hu, J Liu, Z Min, Y Zhennai… - Lwt, 2023 - Elsevier
Bacillus velezensis YH-1 isolated and identified from conventional rice wine starter (Jiuqu)
was shown to produce a milk-clotting enzyme (MCE) with remarkable milk-clotting activity …
was shown to produce a milk-clotting enzyme (MCE) with remarkable milk-clotting activity …
PtdIns4P is required for the autophagosomal recruitment of STX17 (syntaxin 17) to promote lysosomal fusion
The autophagosomal SNARE STX17 (syntaxin 17) promotes lysosomal fusion and
degradation, but its autophagosomal recruitment is incompletely understood. Notably …
degradation, but its autophagosomal recruitment is incompletely understood. Notably …
CryoFold: Determining protein structures and data-guided ensembles from cryo-EM density maps
Cryoelectron microscopy requires molecular modeling for refinement of structures.
Ensemble models arrive at low free-energy molecular structures, but are computationally …
Ensemble models arrive at low free-energy molecular structures, but are computationally …
State of the art in epitope mapping and opportunities in COVID-19
The understanding of any disease calls for studying specific biological structures called
epitopes. One important tool recently drawing attention and improving efficiency in both …
epitopes. One important tool recently drawing attention and improving efficiency in both …
Computational modeling and prediction of deletion mutants
In-frame deletion mutations can result in disease. The impact of these mutations on protein
structure and subsequent functional changes remain understudied, partially due to the lack …
structure and subsequent functional changes remain understudied, partially due to the lack …
Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes
P Lössl, K Kölbel, D Tänzler, D Nannemann… - PLoS …, 2014 - journals.plos.org
We describe the detailed structural investigation of nidogen-1/laminin γ1 complexes using
full-length nidogen-1 and a number of laminin γ1 variants. The interactions of nidogen-1 with …
full-length nidogen-1 and a number of laminin γ1 variants. The interactions of nidogen-1 with …