Results 181 to 190 of about 8,369 (238)

Tetragraphene-Based Nanotubes Under Temperature Effects: Atomistic Insights into Nanostructural Degradation via Reactive Molecular Dynamics. [PDF]

Nanomaterials (Basel)
Sousa JM.
europepmc   +1 more source

Cell-Extracellular Matrix Feedback Results in Spontaneous Cell Polarization and Heterogeneous Remodeling in 3D Isotropic and Aligned Discrete-Fiber Models of Cell-Mediated Remodeling. [PDF]

Cell Mol Bioeng
Ley AWY, Bersie-Larson LM, Adhikari S, Provenzano PP, Dorfman KD, Barocas VH.   +5 more
europepmc   +1 more source

A Theory-Guided Machine Learning and Molecular Dynamics Approach for Characterizing Fast-Curing Polyurethane Systems. [PDF]

Polymers (Basel)
Wang L, Harris J, Mamolo S, Gharat S, Zolali A, Taub A, Banu M.   +6 more
europepmc   +1 more source

Predicting Adsorbate-Solvent Interaction Energies in Zeolite Pores Using Convolutional Neural Networks with Attention Mechanisms. [PDF]

J Chem Inf Model
Shi J, Chen X, Getman RB.
europepmc   +1 more source

Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic Materials. [PDF]

ACS Phys Chem Au
Neirynck J, Geerinckx S, Rogge SMJ.
europepmc   +1 more source

Mechanism of HIV-1 capsid rupture and uncoating by reverse transcription. [PDF]

Proc Natl Acad Sci U S A
Ghosh K, Gupta M, Voth GA.
europepmc   +1 more source

Thermoelectric Optimization and Quantum-to-Classical Crossover in Gate-Controlled Two-Dimensional Semiconducting Nanojunctions. [PDF]

ACS Nano
Chen YC, Chang YC.
europepmc   +1 more source

Multiscale Investigation of Triboelectric Nanogenerator: An Expanded DFT Calculation Based on Machine Learning. [PDF]

ACS Omega
Huang Y, Matsumoto M.
europepmc   +1 more source

Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF). [PDF]

J Chem Eng Data
Craven NC, Singh R, Quach CD, Gilmer JB, Crawford B, Marin-Rimoldi E, Smith R, DeFever R, Dyukov MS, Fothergill JW, Jones C, Moore TC, Butler BL, Anderson JA, Iacovella CR, Jankowski E, Maginn EJ, Potoff JJ, Glotzer SC, Cummings PT, McCabe C, Siepmann JI.   +21 more
europepmc   +1 more source