Implicit solvation
Top View
- Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
- Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and Pka Values of Thiols
- Solvation Energy of Biomolecular
- MOIRAE: a Computational Strategy to Predict 3-D Structures of Polypeptides
- The Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules
- Complex Systems Theory and Biodynamics Complexity, Emergent Systems and Complex Biological Systems
- Solvation at Metal/Water Interfaces: an Ab Initio Molecular Dynamics Benchmark of Common Computational Approaches
- Poisson@Boltzmann*Based*Implicit*Solvent*Methods**
- A Computational Study of Nucleosomal DNA Flexibility
- Provided for Non-Commercial Research and Educational Use Only. Not for Reproduction, Distribution Or Commercial Use
- Computational Chemistry Study of Solvents for Carbon Dioxide Absorption
- Implementation and Testing of Stable, Fast Implicit Solvation in Molecular Dynamics Using the Smooth-Permittivity Finite Difference Poisson–Boltzmann Method
- Implicit Solvation Methods for Catalysis at Electrified Interfaces
- Solvation and Desolvation Effects in Protein Folding: Native flexibility, Kinetic Cooperativity and Enthalpic Barriers Under Isostability Conditions
- A Generalized G-SFED Continuum Solvation Free Energy Calculation
- Jaguar User Manual
- Examining Electrostatic Influences on Base-Flipping
- Protein Folding by Zipping and Assembly