Results 161 to 170 of about 4,451 (294)

Generalizing the Gaussian Network Model: Spanning‐Tree Thermodynamics Shows Entropy‐Driven KRAS Activation

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The GTPase KRAS executes a conformational switch between a GTP‐bound active state and a GDP‐bound inactive state, a process central to oncogenic signaling. However, the structural basis of this switching at the level of residue‐contact organization remains incompletely characterized by traditional binary structural models.
Fatma Senguler Ciftci, Burak Erman
wiley   +1 more source

Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators. [PDF]

J Chem Theory Comput
Pedersen J, Sannes BS, Høyvik IM.
europepmc   +1 more source

Unmanned Aerial Systems for Corrosion Detection: Multi‐Sensor Technologies, Challenges, and Opportunities for Next‐Generation Inspection

Quality and Reliability Engineering International, EarlyView.
ABSTRACT Corrosion remains a critical threat to the integrity and service life of infrastructure in industries such as oil, gas, construction, renewable energy, and transportation. Traditional inspection methods, being labor‐intensive, hazardous, and often subjective, fall short in addressing modern inspection demands.
Alhossein Alharbi, Yunes Alqudsi, Alhasan Ali Alharbi, Mohammed Basheer Mohiuddin   +3 more
wiley   +1 more source

Nickel and Copper in C-H Activation and Carbenoid Chemistry: A Descriptor-Based Comparative Analysis of Transition Metals. [PDF]

J Phys Chem A
Gazzari-Jara S, Aroule O, Hoffmann G, Chermette H, Morell C, Herrera B.   +5 more
europepmc   +1 more source

Ontologies for Sustainability: Theoretical Challenges

Sustainable Development, EarlyView.
ABSTRACT The lack of sustainable practices in key sectors of human societies is a global concern, posing threats for the whole planet. This paper provides the first review of ontologies for sustainability efforts, outlining their roles in assessing and advancing such efforts. Section 2 outlines three major challenges associated with sustainability: (1)
Giorgio A. Ubbiali, Matthew C. Lange, Andrea Borghini   +2 more
wiley   +1 more source

A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials. [PDF]

ACS Nano
Fang Z, Hsu TW, Yan Q.
europepmc   +1 more source

Chemical frustration in the protein folding landscape: grand canonical ensemble simulations of cytochrome c. [PDF]

Biochemistry, 2009
Weinkam P, Romesberg FE, Wolynes PG.
europepmc   +1 more source

Organizing across cognitive asymmetry in human–AI collaboration: A study of perfume creation

Strategic Management Journal, EarlyView.
Abstract Research Summary As organizations increasingly adopt generative AI (GenAI), they face a strategic challenge: not only deciding which tasks AI should perform, but also how to organize the integration of human and AI efforts to produce viable solutions.
Tomoko Yokoi, Daniella Laureiro‐Martinez, Federico Magni, Stefano Brusoni   +3 more
wiley   +1 more source

Hydride Accessibility and Reactivity in the Configurational and Stoichiometric Space of β-Ga₂O₃ for CO₂ Hydrogenation. [PDF]

J Phys Chem Lett
Baidun MS, Kolganov AA, Alexandrova AN, Pidko EA.   +3 more
europepmc   +1 more source

Mapping the Conformational Landscape of DNA Minicircles Through Atomic Force Microscopy and Shape Space Analysis

Small, EarlyView.
An automated framework is presented for quantifying DNA conformational variability from atomic force microscopy (AFM) images. DNA backbones are reduced to spline representations and analyzed using cyclic Procrustes analysis to measure shape similarity across ensembles.
Laura Wiggins, Tobias A. Firth, Max C. Gamill, Thomas E. Catley, Agnes Noy, Jonathan M. Fogg, Lynn Zechiedrich, Alice L. B. Pyne   +7 more
wiley   +1 more source