Results 301 to 310 of about 8,193,792 (388)

drMD: Molecular Dynamics for Experimentalists

Shrimpton-Phoenix E, Notari E, Wood CW.
europepmc   +1 more source

Investigating the thermodynamics properties of water confined in carbon nanotubes using molecular dynamics simulations. [PDF]

Sci Rep
Srivastava A, Das G, Abedrabbo S, Hassan J, Homouz D.   +4 more
europepmc   +1 more source

Microphysiological Glomerular Filtration Barriers: Current Insights, Innovations, and Future Applications

Advanced Biology, EarlyView.
The glomerular filtration barrier (GFB) is the first step of blood filtration by the kidneys. The concerning increase of kidney diseases makes the development of new models essential. In this context, microphysiological glomerular filtration barriers focus on closely reproducing the physiological architecture of the in vivo GFB: podocytes, glomerular ...
Manon Miran, Kieu Ngo, David Buob, Hanna Debiec, Pierre Ronco, Guillaume Perry   +5 more
wiley   +1 more source

An artificial intelligence accelerated ab initio molecular dynamics dataset for electrochemical interfaces. [PDF]

Sci Data
Zhuang YB, Liu C, Zhu JX, Hu JY, Le JB, Li JQ, Wen XJ, Fan XT, Jia M, Li XY, Chen A, Li L, Lin ZL, Xu WH, Cheng J.   +14 more
europepmc   +1 more source

Investigating the Cellular Effects of GALC Dosing in Enzyme Replacement Therapy for Krabbe Disease Supports the Role of Nanomedicine

Advanced Biology, EarlyView.
A detailed workflow for recombinant GALC production and characterization is presented to support enzyme replacement therapy for Krabbe disease. In vitro assays demonstrate that physiological GALC doses restore enzymatic activity and autophagic flux without affecting cell viability, whereas higher doses impair autophagy and reduce viability.
Ambra Del Grosso, Sara Carpi, Laura Colagiorgio, Miriam De Sarlo, Mariacristina Gagliardi, Marco Cecchini   +5 more
wiley   +1 more source

Correction: Probing atomic‑scale processes at the ferrihydrite‑water interface with reactive molecular dynamics. [PDF]

Geochem Trans
Hayatifar A, Gravelle S, Moreno BD, Schoepfer VA, Lindsay MBJ.   +4 more
europepmc   +1 more source

Molecular Docking and Molecular Dynamics [PDF]

, 2019
openaire   +2 more sources

Comparative Wear and Friction Analysis of Sliding Surface Materials for Hydrostatic Bearing under Oil Supply Failure Conditions

Advanced Engineering Materials, EarlyView.
Hydrostatic bearings excel in high‐precision applications, but their performance hinges on a continuous external supply. This study evaluates various material combinations for sliding surfaces to mitigate damage during supply failures or misalignment and to discover the most effective materials identified for enhancing the reliability and efficiency of
Michal Michalec, Lukáš Daněk, Jan Foltýn, Petr Svoboda, Carsten Gachot, Martin Hartl, Ivan Křupka   +6 more
wiley   +1 more source

Consolidate Overview of Ribonucleic Acid Molecular Dynamics: From Molecular Movements to Material Innovations

Advanced Engineering Materials, EarlyView.
Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley   +1 more source

Investigating the Nature of PRM:SH3 Interactions Using Artificial Intelligence and Molecular Dynamics. [PDF]

J Chem Inf Model
Kim SJ, Hwang DE, Kim H, Choi JM.
europepmc   +1 more source