Research Centers: Recent submissions
Now showing items 1-20 of 237
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Proceedings of the 2024 Hawk Talks
(Biotechnology Program, University of Kansas Edwards Campus, 2024-04-26)The 2024 Hawk Talks Conference Proceedings showcase works from students representing a diverse range of programs, including Applied Biological Sciences, Exercise Science, Health Sciences, Environmental Science, Psychology, ... -
Ligand Gaussian Accelerated Molecular Dynamics 2 (LiGaMD2): Improved Calculations of Ligand Binding Thermodynamics and Kinetics with Closed Protein Pocket
(American Chemical Society, 2023-01-27)Ligand binding thermodynamics and kinetics are critical parameters for drug design. However, it has proven challenging to efficiently predict ligand binding thermodynamics and kinetics from molecular simulations due to ... -
Deep Boosted Molecular Dynamics: Accelerating Molecular Simulations with Gaussian Boost Potentials Generated Using Probabilistic Bayesian Deep Neural Network
(American Chemical Society, 2023-05-23)We have developed a new deep boosted molecular dynamics (DBMD) method. Probabilistic Bayesian neural network models were implemented to construct boost potentials that exhibit Gaussian distribution with minimized anharmonicity, ... -
Critical Non-Covalent Binding Intermediate for an Allosteric Covalent Inhibitor of SUMO E1
(American Chemical Society, 2023-03-10)Post-translational modifications by small ubiquitin-like modifiers (SUMOs) are dysregulated in many types of cancers. The SUMO E1 enzyme has recently been suggested as a new immuno-oncology target. COH000 was recently ... -
Evaluation of AlphaFold-Multimer prediction on multi-chain protein complexes
(Oxford University Press, 2023-07-05)Motivation Despite near-experimental accuracy on single-chain predictions, there is still scope for improvement among multimeric predictions. Methods like AlphaFold-Multimer and FoldDock can accurately model dimers. ... -
Identification of a novel transport system in Borrelia burgdorferi that links the inner and outer membranes
(Pathogens and Disease, 2023-06-29)Borrelia burgdorferi, the spirochete that causes Lyme disease, is a diderm organism that is similar to Gram-negative organisms in that it contains both an inner and outer membrane. Unlike typical Gram-negative organisms, ... -
Liver-expressed antimicrobial peptide 2 elevation contributes to age-associated cognitive decline
(American Society for Clinical Investigation, 2023-05-22)Elderly individuals frequently report cognitive decline, while various studies indicate hippocampal functional declines with advancing age. Hippocampal function is influenced by ghrelin through hippocampus-expressed growth ... -
An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression
(American Association for Cancer Research, 2023-07-07)TP53 is the most frequently mutated gene in cancer, yet key target genes for p53-mediated tumor suppression remain unidentified. Here, we characterize a rare, African-specific germline variant of TP53 in the DNA-binding ... -
Parartemiopsis shangrilaensis, a new species of fairy shrimp (Branchiopoda, Anostraca) from Yunnan, with a key to the Chirocephalidae of China
(Pensoft Publishers, 2023-07-04)The fairy shrimp genus Parartemiopsis Rogers, 2005 currently contains a single species reported from Russia and Mongolia. In 2013, an unidentified Parartemiopsis population was reported from the eastern margin of the Tibetan ... -
Are we saving water? Simple methods for assessing the effectiveness of groundwater conservation measures
(Elsevier, 2023-09-01)Substantial storage reductions by irrigation pumping in many of the world’s major aquifers jeopardize future food production. As a result, new conservation measures are being utilized to reduce pumping and extend aquifer ... -
Challenges and frontiers of computational modelling of biomolecular recognition
(Cambridge University Press, 2022-08-19)Biomolecular recognition including binding of small molecules, peptides and proteins to their target receptors plays a key role in cellular function and has been targeted for therapeutic drug design. However, the high ... -
Editorial: Protein recognition and associated diseases
(Frontiers Media, 2023-05-22) -
A Mixed Model for Assessing the Effect of Numerous Plant Species Interactions on Grassland Biodiversity and Ecosystem Function Relationships
(Springer, 2022-09-01)In grassland ecosystems, it is well known that increasing plant species diversity can improve ecosystem functions (i.e., ecosystem responses), for example, by increasing productivity and reducing weed invasion. ... -
Effects of presenilin-1 familial Alzheimer’s disease mutations on γ-secretase activation for cleavage of amyloid precursor protein
(Nature Research, 2023-02-14)Presenilin-1 (PS1) is the catalytic subunit of γ-secretase which cleaves within the transmembrane domain of over 150 peptide substrates. Dominant missense mutations in PS1 cause early-onset familial Alzheimer’s disease ... -
Towards a structurally resolved human protein interaction network
(Nature Research, 2023-01-23)Cellular functions are governed by molecular machines that assemble through protein-protein interactions. Their atomic details are critical to studying their molecular mechanisms. However, fewer than 5% of hundreds of ... -
Crystal orientation fabric anisotropy causes directional hardening of the Northeast Greenland Ice Stream
(Nature Research, 2023-05-08)The dynamic mass loss of ice sheets constitutes one of the biggest uncertainties in projections of ice-sheet evolution. One central, understudied aspect of ice flow is how the bulk orientation of the crystal orientation ... -
Novel 3D Force Sensors for a Cost-Effective 3D Force Plate for Biomechanical Analysis
(MDPI, 2023-03-02)Three-dimensional force plates are important tools for biomechanics discovery and sports performance practice. However, currently, available 3D force plates lack portability and are often cost-prohibitive. To address this, ... -
Dietary overlap and selectivity among mountain steppe river fish in the United States and Mongolia
(Wiley Open Access, 2023-05-21)Lotic systems in mountain regions have historically provided secure habitat for native fish populations because of their relative isolation from human settlement and lack of upstream disturbances. However, rivers of mountain ... -
Pharmacological hallmarks of allostery at the M4 muscarinic receptor elucidated through structure and dynamics
(eLife Sciences Publications, 2023-05-20)Allosteric modulation of G protein-coupled receptors (GPCRs) is a major paradigm in drug discovery. Despite decades of research, a molecular-level understanding of the general principles that govern the myriad pharmacological ... -
Correlation between Lignin–Carbohydrate Complex Content in Grass Lignins and Phenolic Aldehyde Production by Rapid Spray Ozonolysis
(American Chemical Society, 2022-12-19)We provide strong evidence that the amounts of phenolic aldehydes (vanillin and p-hydroxybenzaldehyde, pHB) selectively released during rapid ozonolysis of grass lignins are correlated with the unsubstituted aryl carbons ...