Results 211 to 220 of about 337,081 (267)

From Geometry to Function: Programmable Mechanical Response in 3D‐Printed Adipose‐Inspired Soft Metamaterials

Advanced Functional Materials, EarlyView.
Geometry‐driven design of soft cellular metamaterials is systematically investigated by combining experiments, finite element modeling, and statistical prediction. The study quantifies how unit cell geometry and material properties govern stiffness, instability, densification, and energy absorption.
Alice Berardo, Gianmarco Dolino, Damiano Coato, Paolo Gargiulo, Emanuele Luigi Carniel   +4 more
wiley   +1 more source

Phytochemical Characterization and Neuropharmacological Assessment of <i>Combretum indicum</i> Methanolic Extract With Integrated Molecular Docking and Dynamics Simulation for Anxiety and Depression Therapy. [PDF]

Food Sci Nutr
Islam Z, Alam MA, Bhuiyan SA, Naher S, Sultana N, Uddin SMN.   +5 more
europepmc   +1 more source

Molecular Dynamics Simulation for Membrane Fusion. [PDF]

Methods Mol Biol
Tyoe O, Zhang K, Diao J.
europepmc   +1 more source

Exploring the mechanisms of luteolin in treating polycystic ovary syndrome and endometriosis via network pharmacology, molecular docking, and molecular dynamics simulation. [PDF]

Medicine (Baltimore)
Chen R, Tian L, Xu Y, Zhang J, Pan S, Zhao G, Raveendran A.   +6 more
europepmc   +1 more source

Molecular dynamics simulation of Sunset Yellow dye removal from water using hydrochar adsorbent. [PDF]

Sci Rep
Ho TH, Van Le K, Nguyen PT, Nguyen L, Trinh TT.   +4 more
europepmc   +1 more source

Molecular Dynamics Simulation and Experimental Study on the Mechanical Properties of Functionalized Graphene-Enhanced PEEK/PTFE. [PDF]

Polymers (Basel)
Wang Y, Chen J, Tang H, Yang B, Wang S, Wang N.   +5 more
europepmc   +1 more source

Coarse-grained molecular dynamics simulation of gallic acid delivery using span60-based niosomes. [PDF]

Sci Rep
Najafian S, Marsusi F, Mirabbaszadeh K.
europepmc   +1 more source

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Simulating People Dynamics

2021 17th International Conference on Intelligent Environments (IE), 2021
This paper investigates a new method to simulate pedestrian crowd movement in a large and complex virtual environment, representing a public place such as a shopping mall. To demonstrate pedestrian dynamics, we consider different group sizes with various categories of pedestrian sharing a crowded environment.
Saeed R. A., reforgiato recupero d, Remagnino P.   +2 more
openaire   +1 more source

Molecular Dynamics Simulations

Current Opinion in Structural Biology, 2002
Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible.
Daan Frenkel, Berend Smit
openaire   +4 more sources

Direct Dynamics Simulations

Computing in Science & Engineering, 2003
With today's improved computers, scientists can obtain the potential energy gradient for a classical trajectory by solving the time-independent Schrodinger equation at each numerical integration step. The practicality of this approach-called a direct dynamics simulation-is enhanced by its use of linear scaling and semiempirical electronic structure ...
William L. Hase, Kihyung Song, Mark S. Gordon   +2 more
openaire   +1 more source