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Áreas de investigación Ciencias Biológicas Bioinformática y biología computacional Desarrollo de métodos bioinformáticos
Áreas de investigación
Ciencias Biológicas
Bioinformática y biología computacional
Desarrollo de métodos bioinformáticos
Un método de simulación de dinámica molecular de conjunto de TNP preciso y eficiente

Un método de simulación de dinámica molecular de conjunto de TNP preciso y eficiente

Zilin Huang ¹, Lianqing Zheng ², Wei Yang ^1,2

Zilin Huang ¹, Lianqing Zheng ², Wei Yang ^1,2

¹Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, USA.
²Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306, USA.

⁰Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, USA.

The Journal of Chemical Physics +

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2 de enero de 2026

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2 de enero de 2026

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Resumen

No abstract available on PubMed

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Videos de Conceptos Relacionados

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...

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