Research Articles
Best Practices for Accurate Diffusion Coefficient Calculation in Molecular Dynamics Simulations
This article provides a comprehensive guide for researchers and scientists on calculating diffusion coefficients using Molecular Dynamics (MD).
MSD vs VACF: A Comprehensive Guide to Accuracy in Biomolecular Diffusion Analysis
This article provides a critical comparison of the Meso Scale Discovery (MSD) electrochemiluminescence platform and the Velocity Autocorrelation Function (VACF) method for researchers and professionals in drug development.
A Researcher's Guide: Calculating Diffusion Coefficients in LAMMPS, GROMACS, and AMBER
This article provides a comprehensive guide for researchers and scientists on calculating diffusion coefficients using major molecular dynamics software: LAMMPS, GROMACS, and AMBER.
Interpreting MSD Plots from Molecular Dynamics Simulations: A Practical Guide for Calculating Diffusion Coefficients in Biomedical Research
This article provides a comprehensive guide for researchers and drug development professionals on interpreting Mean Squared Displacement (MSD) plots from Molecular Dynamics (MD) simulations.
Self-Diffusion vs. Mutual Diffusion: A Comprehensive Guide for Pharmaceutical and Materials Research
This article provides a detailed exploration of self-diffusion and mutual diffusion coefficients, two fundamental parameters governing molecular transport.
Fick's Laws of Diffusion: Theory, Applications, and Modern Challenges in Biomedical Research
This article provides a comprehensive exploration of Fick's Laws of Diffusion, from their foundational principles to their critical applications in drug development and biomedical engineering.
Computing Diffusion Coefficients with the Einstein Relation: A Practical Guide for Molecular Dynamics Simulations
This article provides a comprehensive guide for researchers and scientists on utilizing the Einstein relation within molecular dynamics (MD) simulations to compute diffusion coefficients.
The Green-Kubo Relation and VACF: A Complete Guide for Molecular Dynamics in Biomedical Research
This article provides a comprehensive exploration of the Green-Kubo relations and the Velocity Autocorrelation Function (VACF) for researchers and scientists in drug development and biomedical fields.
Mean Squared Displacement (MSD) in Biomedical Research: From Derivation to Advanced Applications in Drug Development
This article provides a comprehensive resource for researchers and drug development professionals on the theory, calculation, and application of Mean Squared Displacement (MSD).
Diffusion Coefficient in Molecular Dynamics: A Comprehensive Guide for Biomedical Researchers
This article provides a comprehensive overview of the diffusion coefficient in molecular dynamics (MD) simulations, tailored for researchers, scientists, and drug development professionals.