Alchemical Free Energy Calculations on Membrane-Associated
Descrição
Calculating free energy — GROMACS tutorials documentation
Evaluating the use of absolute binding free energy in the fragment optimisation process
Alchemical Hydration Free-Energy Calculations Using Molecular Dynamics with Explicit Polarization and Induced Polarity Decoupling: An On–the–Fly Polarization Approach
PDF] Building intuition for binding free energy calculations: Bound state definition, restraints, and symmetry.
Ligand binding free-energy calculations with funnel metadynamics
Water to cyclohexane transfer free energy calculations for a carbon nanotube - ScienceDirect
FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations
Alchemical Free Energy Calculations on Membrane-Associated Proteins
Alchemical free energy calculations via metadynamics: Application to the theophylline‐RNA aptamer complex - Tanida - 2020 - Journal of Computational Chemistry - Wiley Online Library
de
por adulto (o preço varia de acordo com o tamanho do grupo)
