Search Results - "Dodda LS"

Rigid and flexible coupled micropore membranes enabling ultra‐efficient anion separation.

Authors: Hong, Ziqiang Wan, Zongliang Gu, Jingjing et al.

Source: AIChE Journal; Jun2025, Vol. 71 Issue 6, p1-13, 13p

Structural insights into sigma class glutathione transferase from Taenia solium: Analysis and functional implications.

Authors: Miranda-Blancas, Ricardo García-Gutiérrez, Ponciano Sánchez-Juárez, Cesar et al.

Source: PLoS Neglected Tropical Diseases. 5/30/2025, Vol. 19 Issue 5, p1-17. 17p.

Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design.

Authors: López-García, Úrsula Vietor, Jan Marschner, Julian A. et al.

Source: Communications Chemistry. 5/21/2025, Vol. 8 Issue 1, p1-11. 11p.

Prediction of CO2 absorption in aqueous 1DMA2P solutions using thermodynamics and molecular dynamic simulations.

Authors: Li, Miyi Lv, Can Zhao, Feng et al.

Source: AIChE Journal; Oct2025, Vol. 71 Issue 10, p1-14, 14p

Temperature optimal control and entropy–enthalpy compensation phenomenon in the CO2 capture with DEA/PEG200 as absorbent.

Authors: Sun, Zhongxiao Xu, Zhiyong Wang, Jinyu et al.

Source: AIChE Journal; Aug2025, Vol. 71 Issue 8, p1-14, 14p

Atomistic simulation of sulfur mustard adsorption on graphene and graphene oxide: Conformational, structural, and energetic properties.

Authors: Khanlarkhani A; Department of Nanotechnology and Advanced Materials, Materials and Energy Research Center, P.O. Box, Karaj, 31787-316, Iran. a.khanlarkhani@merc.ac.ir.

Source: Journal of molecular modeling [J Mol Model] 2026 Jun 24; Vol. 32 (7). Date of Electronic Publication: 2026 Jun 24.

Publication Type: Journal Article

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

In silico discovery of novel small-molecule PD-L1 inhibitors through a multi-stage computational workflow integrating machine learning and molecular dynamics.

Authors: Garmabdari A Ayyoubzadeh SM Ashkezari FD et al.

Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2026 May 25; Vol. 40 (1). Date of Electronic Publication: 2026 May 25.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.

Authors: Stroet, Martin Caron, Bertrand Engler, Martin S. et al.

Source: Journal of Computer-Aided Molecular Design; Aug2023, Vol. 37 Issue 8, p357-371, 15p

Ionization‐engineered two‐dimensional confined channels in GO membranes for highly efficient OH− separation.

Authors: Li, Yong Jia, Rui Tan, Ruonan et al.

Source: AIChE Journal; Feb2024, Vol. 70 Issue 2, p1-12, 12p

In silico design of natural-based structures as drug candidates to inhibit ROS1 protein.

Authors: Maleki, Mohammadjavad Fattahi, Alireza

Source: Scientific Reports. 11/3/2025, Vol. 15 Issue 1, p1-17. 17p.

Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97.

Authors: Bothe, Sebastian Hänzelmann, Petra Böhler, Stephan et al.

Source: Communications Chemistry. 12/7/2022, Vol. 5 Issue 1, p1-15. 15p.

A molecular dynamics study of spontaneous imbibition of water in silica nanoslits.

Authors: Yuan S Zhang Y Ma L et al.

Source: Journal of molecular modeling [J Mol Model] 2025 Nov 11; Vol. 31 (12), pp. 326. Date of Electronic Publication: 2025 Nov 11.

Publication Type: Journal Article

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

New insights into the pro-oxidant mechanism of dehydroleucodine on Trypanosoma cruzi.

Authors: Gomez, Jessica Coll, Mauro Guarise, Carla et al.

Source: Scientific Reports. 8/15/2024, Vol. 14 Issue 1, p1-14. 14p.

Automated drug design for druggable target identification using integrated stacked autoencoder and hierarchically self-adaptive optimization.

Authors: Masoomkhah, Seyed Saeed Rezaee, Khosro Ansari, Mojtaba et al.

Source: Scientific Reports. 9/1/2025, Vol. 15 Issue 1, p1-22. 22p.

Bioinformatics Analysis of Cancer Related CBP Mutations on Copper Ion and Drug Binding.

Authors: Chauhan S Thakur A Kulharia M et al.

Source: The protein journal [Protein J] 2025 Aug; Vol. 44 (4), pp. 409-424. Date of Electronic Publication: 2025 Apr 29.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 101212092 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1875-8355 (Electronic) Linking ISSN: 15723887 NLM ISO Abbreviation: Protein J Subsets: MEDLINE

Volatile fatty acids recovery from thermophilic acidogenic fermentation using hydrophobic deep eutectic solvents.

Authors: Liu, Can Zhang, Xueyao Qiao, Qi et al.

Source: Journal of Biological Engineering. 7/31/2025, Vol. 19 Issue 1, p1-15. 15p.

Molecular dynamics studies on removal of arsenic ions from aqueous solution using functionalised single–layered graphene sheet.

Authors: Chandran, Drisya G. Muruganandam, Loganathan Biswas, Rima

Source: Molecular Simulation. Jul2025, Vol. 51 Issue 11, p735-756. 22p.

Exploring the promise and limitations of point-charge-free potentials for hydrocarbon modeling.

Authors: Weldon, Raymond Wang, Feng

Source: Scientific Reports. 7/2/2025, Vol. 15 Issue 1, p1-12. 12p.

Neomangiferin, a Naturally Occurring Mangiferin Congener, Inhibits Sodium-Glucose Co-transporter-2: An In silico Approach.

Authors: Olusola, Ayobami J Famuyiwa, Samson O Faloye, Kolade O et al.

Source: Bioinformatics & Biology Insights. 1/17/2024, p1-9. 9p.

Investigating the self-assembling of nicotinic hydrazide-based amphiphile into nano-range vesicles and its amphotericin B loading applications.

Authors: Hussain, Kashif Jabbar, Abdul Ali Hasan, Khwaja et al.

Source: Drug Delivery. Dec2023, Vol. 30 Issue 1, p1-13. 13p.