Results 111 to 120 of about 2,574 (191)

Constraint Decoupled Latent Diffusion for Protein Backmapping. [PDF]

J Chem Theory Comput
Han X, Sun Y, Chen K, Ren Y, Liu K, Ye Q.   +5 more
europepmc   +1 more source

Robustness Assessment of Public Transport Networks in Various Graph Representations: Systematic Review, Decision Support, and Case Study

Networks, EarlyView.
ABSTRACT The analysis of certain properties of the underlying graph of a public transport network generates insights about the network's structure. Hereby, the choice of the graph representation depends on a trade‐off between complexity reduction and information preservation to adequately model a public transport network.
Michael Palk, Stefan Voß, Raka Jovanovic   +2 more
wiley   +1 more source

A Sharp Deconfinement Transition for Potts Lattice Gauge Theory in Codimension Two. [PDF]

Commun Math Phys
Duncan P, Schweinhart B.
europepmc   +1 more source

Floral resource diversity drives spatiotemporal variation in plant–pollinator network structure

Oikos, EarlyView.
Mechanisms underlying community assembly, including those related to species interactions, vary across space and time. Plant–pollinator networks exemplify these dynamics, where link rewiring and turnover mediate adaptations to environmental changes. Bees rely on diverse floral resources (e.g.
Caio S. Ballarin, Felipe W. Amorim, Blanca Arroyo‐ Correa, Pedro Jordano   +3 more
wiley   +1 more source

Hybrid backdoor attacks for deep code models. [PDF]

PLoS One
Geng T.
europepmc   +1 more source

Modifying Antibiotic Activity of Synthetic Thiadiazine Analogs Against MDR Bacteria and ADMET Analysis

ChemistryOpen, EarlyView.
The study demonstrated that thidiazine compounds potentiated the action of antibiotics. The compounds associated with norfloxacin against S. aureus showed greater significance in relation to the other medications. The indiscriminate use of antibiotics has led to the selection of resistant bacterial strains, significantly reducing the effectiveness of ...
João Arthur de Oliveira Borges, Priscilla Ramos Freitas, Isaac Moura Araújo, Ray Silva de Almeida, Igor José dos Santos Nascimento, João Xavier de Araújo‐Júnior, Edeildo Ferreira da Silva‐Júnior, Thiago Mendonça de Aquino, Francisco Jaime Bezerra Mendonça Junior, Emmanuel Silva Marinho, Hélcio Silva dos Santos, Radosław Kowalski, Grażyna Kowalska, Henrique Douglas Melo Coutinho, Saulo Relison Tintino, Ana Carolina Justino de Araújo   +15 more
wiley   +1 more source

Artificial intelligence as a surrogate brain: bridging neural dynamical models and data. [PDF]

Natl Sci Rev
Zhang Y, Liu D, Liang Z, Cheng J, Lou K, Duan J, Gao T, Hu B, Liu Q.   +8 more
europepmc   +1 more source

Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms

ChemistryOpen, EarlyView.
This study employed density functional theory (DFT) and conceptual DFT (CDFT) to calculate the structures and properties of potential antibacterial compounds derived from 16‐membered lactone ring‐containing secondary metabolites of extremophiles, as well as midecamycin.
Dilong Li, Yanni Wang, Yinhuan Huang, Hui Zhou, Xiaoyun Xia, Wei Huang, Chaojie Wang   +6 more
wiley   +1 more source

Intelligent decision-making for mine ventilation systems based on graph neural network and deep reinforcement learning fusion. [PDF]

Sci Rep
Zhang K, Yang X, Li H.
europepmc   +1 more source

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment

ChemistryOpen, EarlyView.
Molecular dynamics analysis of novel statin analogs shows that binding induces superior stabilization of HMG‐CoA reductase. As shown by the solvent‐accessible surface area profile, ligand‐induced rigidity offers a new, effective strategy for drug design. Cardiovascular diseases remain a leading cause of global mortality.
Yoshua B. Mtulo, Geradius Deogratias, James E. Mgaya, Andrew S. Paluch, Lucas Paul   +4 more
wiley   +1 more source