Search Results - "Valsson O"

Crystallisation triggered by mass diffusion at a lower local supersaturation.

Authors: Xu, Shuqi Torres, Juan F.

Source: Communications Chemistry. 2/11/2026, Vol. 9 Issue 1, p1-10. 10p.

Preservation of Money Art: Material Degradation and Evaluation of Biopolymer Coatings as Protective Strategies.

Authors: Macchia, Andrea Colasanti, Irene Angela Barbaccia, Francesca Irene et al.

Source: Applied Sciences (2076-3417); May2025, Vol. 15 Issue 10, p5355, 32p

Comparative Analysis of Dielectric Behavior under Temperature and UV Radiation Exposure of Insulating Paints for Electrical Equipment Protection—The Necessity of a New Standard?

Authors: Caramitu, Alina Ruxandra Lungu, Magdalena Valentina Ciobanu, Romeo Cristian et al.

Source: Coatings (2079-6412); Sep2024, Vol. 14 Issue 9, p1194, 18p

Endurance to Multiple Factors of Water-Based Electrically Conductive Paints with Metallic Microparticles.

Authors: Caramitu, Alina Ruxandra Ciobanu, Romeo Cristian Aradoaei, Mihaela et al.

Source: Coatings (2079-6412); Aug2024, Vol. 14 Issue 8, p1016, 18p

Prediction of pre- and postfusion conformations of class I fusion proteins with AlphaFold2.

Authors: Gülesen, Sevilay Most, Victoria Schoeder, Clara T. et al.

Source: PLoS ONE. 6/16/2026, Vol. 21 Issue 6, p1-19. 19p.

Drug Repurposing Uncovers New Chemical Scaffolds as Potent Urease Inhibitors: A Comprehensive Computational Study.

Authors: Ríos-Rozas, Sofía E. Valdés-Muñoz, Elizabeth Rojas-Santander, Vicente et al.

Source: International Journal of Molecular Sciences. Apr2026, Vol. 27 Issue 8, p3561. 30p.

Exploring the Impact of Surface Thermal Treatments on WC-Co Blocks Subjected to Linear Scratching: A Molecular Dynamics Simulation Study.

Authors: Wang, Duck Hyun Lee, Sehan Yi, Taeil

Source: Coatings (2079-6412); Dec2024, Vol. 14 Issue 12, p1576, 14p

AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics.

Authors: Vats, Shray Bobrovs, Raitis Söderhjelm, Pär et al.

Source: PLoS ONE. 8/27/2024, Vol. 19 Issue 8, p1-29. 29p.

Machine learning heralding a new development phase in molecular dynamics simulations.

Authors: Prašnikar, Eva Ljubič, Martin Perdih, Andrej et al.

Source: Artificial Intelligence Review; Apr2024, Vol. 57 Issue 4, p1-36, 36p

Free energy calculations in molecular modeling: from classical methods to machine learning.

Authors: Purohit A; Mumbai, India. apoorva.pur@gmail.com.

Source: Journal of molecular modeling [J Mol Model] 2026 Mar 28; Vol. 32 (4). Date of Electronic Publication: 2026 Mar 28.

Publication Type: Journal Article; Review

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE

Energetics of Oligosaccharide Adsorption on Ionic Liquid‐Clay Composites.

Authors: Nethi, Shravani Hazra, Rituparna Kumar Jagannathareddy, Dinesh et al.

Source: Chemistry - An Asian Journal. 2/3/2025, Vol. 20 Issue 3, p1-13. 13p.

Learning data-efficient coarse-grained molecular dynamics from forces and noise.

Authors: Durumeric AEP Chen Y Pasos-Trejo AS et al.

Source: Nature communications [Nat Commun] 2026 Mar 15; Vol. 17 (1). Date of Electronic Publication: 2026 Mar 15.

Publication Type: Journal Article

Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE

FRETpredict: a Python package for FRET efficiency predictions using rotamer libraries.

Authors: Montepietra, Daniele Tesei, Giulio Martins, João M. et al.

Source: Communications Biology. 3/9/2024, Vol. 7 Issue 1, p1-10. 10p.

Finite-size effects in molecular simulations: a physico-mathematical view.

Authors: Reible, Benedikt M. Hartmann, Carsten Delle Site, Luigi

Source: Advances in Physics: X. Dec2025, Vol. 10 Issue 1, p1-40. 40p.

Stepwise dissolution of silica surface in alkaline solution revealed by molecular modeling.

Authors: Sun, Ming Gao, Xiaojian Zhang, Zhe et al.

Source: Journal of the American Ceramic Society; Nov2023, Vol. 106 Issue 11, p6586-6601, 16p

Directional Entropy Bands for Surface Characterization of Polymer Crystallization.

Authors: Tourani, Elyar Edwards, Brian J. Khomami, Bamin

Source: Polymers (20734360). Sep2025, Vol. 17 Issue 17, p2399. 31p.

Transferring chemical and energetic knowledge between molecular systems with machine learning.

Authors: Heydari, Sajjad Raniolo, Stefano Livi, Lorenzo et al.

Source: Communications Chemistry. 1/13/2023, Vol. 6 Issue 1, p1-13. 13p.

Conformational Stability and Denaturation Processes of Proteins Investigated by Electrophoresis under Extreme Conditions.

Authors: Masson, Patrick Lushchekina, Sofya

Source: Molecules. Oct2022, Vol. 27 Issue 20, p6861-N.PAG. 31p.

Special Issue "Third Edition: Advances in Molecular Simulation".

Authors: Borówko, Małgorzata¹ (AUTHOR) malgorzata.borowko@mail.umcs.pl

Source: International Journal of Molecular Sciences. Mar2024, Vol. 25 Issue 5, p2709. 4p.

Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers.

Authors: Iscen A Forero-Martinez NC Valsson O et al.

Source: Macromolecules [Macromolecules] 2023 Apr 19; Vol. 56 (9), pp. 3272-3285. Date of Electronic Publication: 2023 Apr 19 (Print Publication: 2023).

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0365316 Publication Model: eCollection Cited Medium: Print ISSN: 0024-9297 (Print) Linking ISSN: 00249297 NLM ISO Abbreviation: Macromolecules Subsets: PubMed not MEDLINE