Results 231 to 240 of about 603,627 (298)

GENESIS CGDYN: large-scale coarse-grained MD simulation with dynamic load balancing for heterogeneous biomolecular systems. [PDF]

Nat Commun
Jung J, Tan C, Sugita Y.
europepmc   +1 more source

Mapping the Cerebral Organoid Landscape: A Systematic Review of Preclinical 3D Models in Neuroscience

Advanced Healthcare Materials, EarlyView.
Cerebral organoids are transforming brain research, yet the field remains fragmented. This comprehensive systematic review maps 738 studies published between 2014 and 2024 to uncover trends, gaps, and opportunities across neuroscience. Introducing OrganoidMap—an interactive, open‐access platform to explore and compare models—this work enables ...
Anna Wolfram, Vanessa Arnold, Maik Wolfram‐Schauerte, Anastassiya Moskalchuk, Caroline Trust, Marie Vontz, Mona Scheurenbrand, Vijayasarathy Sampath‐Kumar, Sogand Ahari, Carlos Romero‐Nieto, Lisa Sevenich   +10 more
wiley   +1 more source

Fe₃O₄@SiO₂-SnCl₄-promoted synthesis, cytotoxic evaluation, molecular docking, and MD simulation of some indenopyrido[2,3-d]pyrimidine derivatives. [PDF]

BMC Chem
Emami L, Baziyar L, Al-Dies AM, Sadeghian S, Mirjalili BBF, Faghih Z, Khorasani S, Zamani L, Khabnadideh S.   +8 more
europepmc   +1 more source

Development of a Synthetic Hydrogel to Foster Microvascularization of an Endometriosis Microphysiological System

Advanced Healthcare Materials, EarlyView.
ABSTRACT The ascent of novel alternative methods in drug development spotlights the dual needs for improved biological fidelity to in vivo, along with reproducibility, especially in regulatory applications. The need for pre‐clinical models of patient‐derived endometriosis lesions motivates the development of a vascularizable, completely synthetic ...
Lauren Pruett, Laura Bahlmann, Ryan Ogi, Angela Jiao, Priyatanu Roy, Matthew Johnson, David Trumper, Linda Griffith   +7 more
wiley   +1 more source

Virtual screening, molecular docking, MD simulation studies, DFT calculations, ADMET, and drug likeness of Diaza-adamantane as potential MAPK^ERK inhibitors. [PDF]

Front Pharmacol
Gheidari D, Mehrdad M, Hoseini F.
europepmc   +1 more source

Synthesis, biological evaluation, molecular docking, and MD simulation of novel 2,4-disubstituted quinazoline derivatives as selective butyrylcholinesterase inhibitors and antioxidant agents. [PDF]

Sci Rep
Sadeghian S, Razmi R, Khabnadideh S, Khoshneviszadeh M, Mardaneh P, Talashan A, Pirouti A, Khebre F, Zahmatkesh Z, Rezaei Z.   +9 more
europepmc   +1 more source

Synthesis, molecular docking study, MD simulation, ADMET, and drug likeness of new thiazolo[3,2-a]pyridine-6,8-dicarbonitrile derivatives as potential anti-diabetic agents. [PDF]

PLoS One
Aghahosseini F, Bayat M, Sadeghian Z, Gheidari D, Safari F.   +4 more
europepmc   +1 more source

Synthesis, biological evaluation, molecular docking, MD simulation and DFT analysis of new 3-hydroxypyridine-4-one derivatives as anti-tyrosinase and antioxidant agents. [PDF]

Heliyon
Sadeghian S, Zare F, Khoshneviszadeh M, Hafshejani AF, Salahshour F, Khodabakhshloo A, Saghaie L, Goshtasbi G, Sarikhani Z, Poustforoosh A, Sabet R, Sadeghpour H.   +11 more
europepmc   +1 more source

Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study. [PDF]

Protein Sci
Medrano-Cerano JL, Cofas-Vargas LF, Leyva E, Rauda-Ceja JA, Calderón-Vargas M, Cano-Sánchez P, Titaux-Delgado G, Melchor-Meneses CM, Hernández-Arana A, Del Río-Portilla F, García-Hernández E.   +10 more
europepmc   +1 more source

Anti-filarial efficacy of Centratherum anthelminticum: unravelling the underlying mechanisms through biochemical, HRAMS proteomics and MD simulation approaches. [PDF]

RSC Adv
Kumar S, Mishra A, Singh SP, Singh A.
europepmc   +1 more source