Results 101 to 110 of about 55,506 (254)

Smart Integration of Structural Biology and Medicinal Chemistry to Unlock Target‐Driven Drug Discovery

Medicinal Research Reviews, EarlyView.
ABSTRACT To enhance drug discovery efforts, medicinal chemists should evaluate, filter, and utilize relevant structural information about target proteins. Acquiring and interpreting protein structures is crucial for elucidating ligand‐receptor interactions and addressing ADME‐related considerations, making it an essential aspect of medicinal chemistry.
Matteo Rossi Sebastiano, Giulia Apprato, Serena Francisco, Giuseppe Ermondi, Giulia Caron   +4 more
wiley   +1 more source

Thermo‐Hydrodynamic Processes of Microparticles in Fractures: A CFD–DEM Approach

International Journal for Numerical and Analytical Methods in Geomechanics, EarlyView.
ABSTRACT Controlling fracture permeability plays a critical role in subsurface energy applications, particularly in geothermal energy production and enhanced carbon sequestration, where regulating fluid flow is essential. The use of microcapsules has become a promising solution to enhance fracture permeability by providing a controlled sealing ...
Hoai Thanh Nguyen, Pania Newell
wiley   +1 more source

Lattice Boltzmann simulations of soft matter systems

, 2008
This article concerns numerical simulations of the dynamics of particles immersed in a continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical particles and solutions of uncharged polymers.
A Alexeev, A Chatterji, A Chatterji, A Levine, A Malevanets, A Malevanets, A Ricci, A Sierou, AG Schlijper, AJ Banchio, AJ Wagner, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AJC Ladd, AK Gunstensen, AS Sangani, AY Grosberg, B Chun, B Chun, B Cichocki, B Cichocki, B Cichocki, B Dünweg, B Dünweg, B Dünweg, B Dünweg, B Liu, B Wachmann, BH Zimm, BJ Alder, BM Boghosian, BP Ho, C Junghans, C Pierleoni, CK Aidun, CK Ghadder, CP Lowe, CS Peskin, CW Gardiner, CWJ Beenakker, D D'Humières, D D'Humières, D Long, D Richter, D Saintillan, DA Weitz, DF Evans, DL Ermak, DL Koch, DP Landau, E Guazzelli, E Herbolzheimer, E Wajnryb, EH Hauge, EJ Ding, EJ Hinch, EJ Hinch, ES Asmolov, F Higuera, F Thalmann, FJ Alexander, G Besold, G Bussi, G Giupponi, G Gonnella, G Segré, GA Buxton, GD Fabritiis, GD Fabritiis, GR McNamara, GR McNamara, GR McNamara, GS Grest, H Hasimoto, H Ma, H Nicolai, H Risken, HA Forbert, HC Öttinger, HD Chen, HD Chen, I Ginzburg, I Ginzburg, I Halliday, I Pagonabarraga, I Vattulainen, IL Claeys, IV Karlin, J Happel, J Lyklema, J Matas, J Rotne, J Zheng, J Zheng, JA Schonberg, JB Gibson, JD Weeks, JE Butler, JF Brady, JF Brady, JHC Luke, JMVA Koelman, JP Hansen, JP Hernande-Ortiz, JP Matas, JR Blake, JR Dorfman, JX Zhu, K Höfler, K Mussawisade, L Fang, LD Landau, LS Luo, LS Luo, M Bouzidi, M Doi, M Fixman, M Frank, M Junk, M Kröger, M Serrano, MA Hoef van der, MA Hoef van der, MG Fyta, MH Ernst, MH Kao, MP Brenner, MR Maxey, MR Swift, N Kikuchi, N Liron, N Sharma, NA Spenley, NI Prasianakis, NQ Nguyen, O Filippova, OB Usta, OB Usta, OB Usta, P Ahlrichs, P Ahlrichs, P Ahlrichs, P Español, P Español, P Español, P Lallemand, P Lallemand, P Lallemand, P Mazur, P Nelson, P Nikunen, P Tong, PE Rouse, PG Gennes de, PG Gennes de, PG Saffman, PJ Hoogerbrugge, PJ Mucha, PM Chaikin, Q Li, Q Meng, Q Meng, R Adhikari, R Benzi, R Car, R Delgad-Buscalioni, R Delgad-Buscalioni, R Delgad-Buscalioni, R Delgad-Buscalioni, R Groot, RB Bird, RE Caflisch, RF Fox, RI McLachlan, RM Jendrejack, RM Jendrejack, RM Jendrejack, RW Mei, RW Nash, S Ansumali, S Arcidiacono, S Chandrasekhar, S Chapman, S Lomholt, S Schwarzer, S Succi, T Ihle, T Ihle, T Ihle, T Ihle, T Shardlow, T Soddemann, U Frisch, U Frisch, V Lobaskin, V Lobaskin, V Lobaskin, VE Zakharov, W Gunsteren van, W Kalthoff, W Montfrooij, W Smith, WB Russel, X Shan, X Shi, YH Qian, Z Guo, Z Guo, Z Guo, ZG Feng   +219 more
core   +2 more sources

Main‐chain polyfullerenes: Taking fullerene to the next dimension

Polymer International, EarlyView.
This short review appraises main‐chain polyfullerenes. Their slow development over 30 years has suddenly boomed with a rapid growth due to exciting developments in solar energy. Abstract This mini‐review gives an overview of the development, chemistry, properties and applications of main‐chain polyfullerenes.
Marco Antônio GB Gomes, Orisson Ponce Gomes, Patricia Targon Campana, Didier Bégué, Roger C Hiorns   +4 more
wiley   +1 more source

Near‐resonant excitation of the Adriatic barotropic modes: The seiche events of December 2019

Quarterly Journal of the Royal Meteorological Society, EarlyView.
This study examines severe flooding in the northern Adriatic Sea in December 2019, which existing forecasting systems failed to predict. Analysis of wind and sea‐level data, alongside reanalysis datasets and a high‐resolution hydrodynamic model, revealed a wind‐induced resonance mechanism.
Marco Bajo, Luca Arpaia, Christian Ferrarin, Mirko Orlić   +3 more
wiley   +1 more source

Machine learning‐driven advances in carbon‐based quantum dots: Opportunities accompanied by challenges

Responsive Materials, EarlyView.
Machine learning provides a unifying framework to connect structure, fluorescence properties, and applications of carbon‐based quantum dots. This review highlights how data‐driven strategies enable fluorescence regulation, reveal underlying mechanisms, and accelerate the rational design of functional carbon dots.
Liangfeng Chen, Siwei Yang, Xiangqian Cui, Ziheng Liu, Hang Wang, Yongqiang Li, Peng He, Miao Wang, Guqiao Ding   +8 more
wiley   +1 more source

Students’ Experiences of Teachers’ Ways of Unpacking Visual Representations in the Context of Intermolecular Forces

Science Education, EarlyView.
ABSTRACT This is the third article in a series, emanating from a project that used social semiotics and phenomenography to explore the role visual representations play in the teaching and learning of chemistry. Building on our earlier work that identified five qualitatively different ways that teachers may use to unpack visual representations in their ...
Emelie Patron, Cedric Linder, Jonathan Clark, Susanne Wikman   +3 more
wiley   +1 more source

Study of Lubrication Performance and Churning Loss under Mixed Lubrication Mode in Gearbox

Lubricants
In order to clarify the effect of mixed lubrication methods on the oil flow and power loss of the gearbox, this study adopts a high-precision moving particle semi-implicit (MPS) method to investigate the lubrication of the gearbox under the joint ...
Lina Wang, Yi Liu, Kailin Zhang, Yuan Yao, Shuai Shao, Kuangzhou He   +5 more
doaj   +1 more source

A Validation of the Viscous Dissipation Model for Fast Vortex Methods in Simulations of Decaying Turbulence

Journal of Fluid Science and Technology, 2007
For realistic turbulent flow simulations, quantitative representation of turbulent flow dynamics is desired. In the present study, two-dimensional homogeneous isotropic turbulence is simulated by using a grid-free vortex method to focus on the viscous ...
Yoshitaka TOTSUKA, Shinnosuke OBI
doaj   +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