Results 181 to 190 of about 5,295,129 (293)

Receptor-Selective Modulation of Cannabinoid Signaling by Cardamonin: Integrating Molecular Dynamics, Free Energy Calculations, and Behavioral Validation. [PDF]

ACS Omega
Khalid MH, Azmi L, Mubarak MQE, Iqma Marsujak NM, Syahir A, Perimal EK, Sulaiman MR, Mohamad Jamali MA.   +7 more
europepmc   +1 more source

Thermoreflectance Detection of Point Defects Resulting from Focused Ion Beam Milling

Advanced Engineering Materials, EarlyView.
Focused ion beam (FIB) milling is a common tool for nanoscale material processing, however irradiation damage, redeposition, and contamination can occur. We use several characterization tools to show FIB‐induced effects beyond 1 mm from the milled area.
Thomas W. Pfeifer, Eric R. Hoglund, Anton V. Ievlev, Patrick E. Hopkins   +3 more
wiley   +1 more source

Cognitive fatigue from schema rigidity and entropy externalization: a free energy principle perspective. [PDF]

Front Psychol
Ezzedini S.
europepmc   +1 more source

Laser Powder Bed Fusion of Alumina: Effects of Scanning Strategies on External and Internal Defects

Advanced Engineering Materials, EarlyView.
This study investigates how scanning strategies affect pure alumina in laser powder bed fusion. Linear 45° scanning yields uniform surfaces but high porosity, while the island‐concentric strategy provides higher density with through‐holes favorable for infiltration. Findings highlight pathways toward optimizing defect‐free alumina parts.
Mohamed Abdelmoula, Gökhan Küçüktürk, Duran Kaya, David Grossin, Christophe Tenailleau, Benjamin Duployer, Enrique Juste, Fabrice Petit   +7 more
wiley   +1 more source

Evaluation of the ABCG2 Charge Model in Protein-Ligand Binding Free-Energy Calculations. [PDF]

J Chem Inf Model
Behera S, Gapsys V, de Groot BL.
europepmc   +1 more source

Carboxylic‐Acid Functionalized Multiwalled Carbon Nanotube‐Alkane‐Based Resistive Temperature Sensor for Cold Chain Applications

Advanced Engineering Materials, EarlyView.
This study presents a reversible temperature sensor with high switching ratio, ∼103. The device is fabricated using PET‐ITO and carbon nanotube dispersions in alkane. Considering its application in cold chain logistics, a proof‐of‐concept with LED is showcased. Thus, a temperature drop below the threshold temperature (crystallization temperature of the
Sunil Kumar Behera, Philippe Marrec, A. Jorge Parola, Madalena Dionísio, Hugo Águas, Andreia F. M. Santos, Hamed Pourkheirollah, Donald Lupo, César A. T. Laia   +8 more
wiley   +1 more source

Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence. [PDF]

J Phys Chem Lett
Aoki T, Harada R.
europepmc   +1 more source

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

Advanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai, Xinrui Sarah Niu, Zhao Qin   +2 more
wiley   +1 more source

Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23. [PDF]

J Chem Theory Comput
Tkaczyk S, Langer T, Wieder M, Rizzi A, Boresch S.   +4 more
europepmc   +1 more source

Free Energy [PDF]

, 2020
openaire   +1 more source