Pages that link to "Q45972773"
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The following pages link to Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method. (Q45972773):
Displaying 17 items.
- Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data. (Q30101000) (← links)
- A transition path ensemble study reveals a linchpin role for Mg(2 ) during rate-limiting ADP release from protein kinase A. (Q30492210) (← links)
- Standard binding free energies from computer simulations: What is the best strategy? (Q30540733) (← links)
- Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics (Q34195265) (← links)
- Computing Relative Free Energies of Solvation using Single Reference Thermodynamic Integration Augmented with Hamiltonian Replica Exchange (Q34385618) (← links)
- Evaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation (Q36682825) (← links)
- Probing the disparate effects of arginine and lysine residues on antimicrobial peptide/bilayer association. (Q38674487) (← links)
- Intrinsic Free Energy of the Conformational Transition of the KcsA Signature Peptide from Conducting to Nonconducting State (Q39845752) (← links)
- Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations (Q41930764) (← links)
- Free energy for the permeation of Na( ) and Cl(-) ions and their ion-pair through a zwitterionic dimyristoyl phosphatidylcholine lipid bilayer by umbrella integration with harmonic fourier beads (Q43168014) (← links)
- QuanPol: a full spectrum and seamless QM/MM program (Q44243515) (← links)
- Umbrella integration in two or more reaction coordinates (Q45255142) (← links)
- Ionic interactions in biological and physical systems: a variational treatment (Q47628412) (← links)
- Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization. (Q53084565) (← links)
- Theoretical studies of HIV-1 reverse transcriptase inhibition. (Q54495575) (← links)
- Combining a polarizable force‐field and a coarse‐grained polarizable solvent model. II. Accounting for hydrophobic effects (Q84291045) (← links)
- Protein-ligand binding with the coarse-grained Martini model (Q97692526) (← links)