Results 131 to 140 of about 167,809 (296)

In silico Protein Structural Modeling and Active binding site Evaluation of Streptococcus pneumoniae [PDF]

, 2009
Structure function relation of glucose kinese in Streptococcus pneumoniae. However, a solved structure for _Streptococcus pneumoniae_ glucose kinese is not available at the protein data bank.
M. Balakrishnan, M. Ramachandran, R.C. Srivastava   +2 more
core   +1 more source

AI–Guided 4D Printing of Carnivorous Plants–Inspired Microneedles for Accelerated Wound Healing

Advanced Materials, EarlyView.
This work presents an artificial intelligence (AI)‐guided 4D‐printed microneedle platform inspired by carnivorous plants for wound healing. A thermo‐responsive shape memory polymer enables body temperature–triggered self‐coiling for autonomous wound closure.
Hyun Lee, Moon‐Jo Kim, DongEung Kim, Chan Ho Moon, Seojoon Bang, Hyeong Seok Kang, Ju Yeong Gwon, Jong Hwa Seo, Junhyub Jeon, Junhyuk Son, Munwon Lim, Minho Kang, Dong Yun Lee, Donghyun Lim, Jung‐Hoon Park, Gi Doo Cha, Soo‐Hong Lee, Tae‐Sik Jang, Kisuk Yang, Yunho Jeong, Youngho Eom, Hyun‐Do Jung   +21 more
wiley   +1 more source

In silico exploration of nitrogenase in Ensifer fredii unraveling structural homology functional and phylogenetic relationships and molecular dynamics

Discover Chemistry
The nitrogenase Fe protein, central to nitrogen fixation, has been extensively studied, However, the X-ray structure of the Nase-Fe protein from Ensifer fredii is essential for understanding its function and stability, yet this structure is absent from ...
Mohamed Hnini, Karim Rabeh
doaj   +1 more source

Large‐Scale Determination of Frontier Orbital Energies of Disordered Small‐Molecule Organic Semiconductors Using Exciplex Emission Spectra

Advanced Materials, EarlyView.
ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald, Hiroki Tomita, Giacomo Cotelli, Louka L. Brüll, Nanno G. de Rooij, Lucas R.L. Norg, Milo Clément, Reinder Coehoorn   +7 more
wiley   +1 more source

Computer Assisted Geometry Optimization for in silico [PDF]

Applied Medical Informatics, 2011
This paper aimed to present a methodology for the geometry optimization of molecules in order to analyze structure-activity/property relationships. The main objective was to reduce the probability of carrying out misleading analyses while preparing the ...
Lorentz JÄNTSCHI
doaj  

Nanozymes at the Bio‐Nano Interface: From Synthesis, Defect Engineering, Catalytic Behavior in Biological Microenvironments, and Biosafety Implications

Advanced Materials Interfaces, EarlyView.
Nanozymes (NZs) have emerged as versatile artificial enzymes with tunable catalytic properties driven by atomic coordination, defect engineering, and surface chemistry. This review presents a bio–nano interface framework linking synthesis strategies, structural design, and catalytic behavior within complex biological microenvironments.
Karen Guadalupe Quintero‐Garrido, Aída Jimena Velarde‐Salcedo, Alejandro López‐Amador, Noé Arjona, Citlali Uitz Toalá, Carmen Gonzalez, Beatriz Liliana España‐Sánchez   +6 more
wiley   +1 more source

Ovarian Matrisome Dynamics and αvβ3‐Mediated Regulation in Early Follicular Development

Advanced Science, EarlyView.
The matrisome undergoes dynamic remodeling during early follicular development. Integrin αvβ3 mediates matrisome signals, regulating primordial follicle activation/atresia and secondary follicle growth via Hippo/mTOR pathways, with conserved roles in human ovaries, offering therapeutic targets for ovarian disorders.
Tong Wu, Yanzhi Feng, Qingqing Zhu, Ting Jiang, Yueyue Gao, Kebing Nie, Xianan Tang, Ying Chen, Dianxing Hu, Xudan Yang, Shixuan Wang, Meng Wu, Jinjin Zhang   +12 more
wiley   +1 more source

Chemical Analysis and Biological Potential of Cotton Lavender Ethanolic Extract (Santolina chamaecyparissus L., Asteraceae)

Horticulturae
Cotton lavender (Santolina chamaecyparissus L., Asteraceae) is a widespread medicinal and ornamental plant. This study aimed to evaluate the preliminary and detailed chemical composition as well as the biological activity of ethanolic extract. As part of
Katarina Radovanović, Dajana Vukić, Nebojša Kladar, Maja Hitl, Neda Gavarić, Milica Aćimović   +5 more
doaj   +1 more source

QBP1 Peptide as a Potential Anti‐Amyloidogenic Therapy for Type 2 Diabetes: An In Vitro Study

Advanced Science, EarlyView.
The anti‐amyloidogenic peptide QBP1 effectively halts human islet amyloid polypeptide (hIAPP) aggregation, preventing the formation of toxic β‐structured intermediates. Through a combination of biophysical assays, molecular dynamics, and cell‐based studies, QBP1 is shown to preserve β‐cell viability and metabolic homeostasis, positioning it as a ...
María M. Tejero‐Ojeda, Ada Bernaus Vives, Michał Wojciechowski, Dinh Quoc Huy Pham, Mateusz Chwastyk, Mario Vallejo, Anna Novials, Douglas V. Laurents, Mariano Carrión‐Vázquez   +8 more
wiley   +1 more source

In silico modelling of tumour-induced angiogenesis

, 2014
Angiogenesis, the process by which new vessels form from existing ones, is a key event in the development of a large and malignant vascularised tumour. A rapid expansion in in vivo and in vitro angiogenesis research in recent years has led to increased knowledge about the processes underlying angiogenesis and to promising steps forward in the ...
openaire   +2 more sources