Results 91 to 100 of about 176,064 (165)

Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment. [PDF]

J Phys Chem B
Raza S, Yadav NS, Jussupow A, Kerfeld CA, Feig M, Vermaas JV.   +5 more
europepmc   +1 more source

Phytochemical Profiling of Mulberry Diels-Alder Adducts as Selective Butyrylcholinesterase Inhibitors: In Vitro Activity, Molecular Docking, and Molecular Dynamics Simulation. [PDF]

Molecules
Cui X, Zhu XC, Yao SQ, Wang R, Zhang YX, Li J, Wang B, Deng YR, Wu CJ.   +8 more
europepmc   +1 more source

Molecular Dynamics Simulation of the Mechanical Properties of Nanolayered Zr-Nb Alloys: Effects of Orientation and Layer Thickness. [PDF]

Materials (Basel)
Deng F, Liu G, Yan J, Zhou Y, Ouyang Y.
europepmc   +1 more source

Investigation into Laser-Vibration-Assisted Cutting of Single-Crystal Silicon by Molecular Dynamics Simulation. [PDF]

Micromachines (Basel)
Chu J, Yang Y, Zang Y, Ke J, Wang Z, Chen C, He J, Xu A, She Z.   +8 more
europepmc   +1 more source

Unveiling the Impact of Drug-Sensitive Mutations on HIV-1 Protease Dynamics: A Molecular Dynamics Simulation Study of the T12A, L63Q, and H69N Variants. [PDF]

Int J Mol Sci
Srihi H, Abid N, Fabeni L, Precone C, Déméné H, Chillemi G.   +5 more
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-Assisted siRNA Design for Dual-Ubiquitinated SKP2 Silencing via Ago2 Anchoring in Breast Cancer. [PDF]

ACS Omega
Gupta MK, Sudandiradoss C.
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

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