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Literature DB >> 11457039

The importance of solute-solvent van der Waals interactions with interior atoms of biopolymers.

J W Pitera, W F van Gunsteren.

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Year: 2001 PMID： 11457039 DOI： 10.1021/ja0057474

Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419

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12 in total

1. Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms.

Authors: Jason A Wagoner; Nathan A Baker
Journal: Proc Natl Acad Sci U S A Date: 2006-05-18 Impact factor: 11.205

2. Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.

Authors: Parimal Kar; Max Seel; Ulrich H E Hansmann; Siegfried Höfinger
Journal: J Phys Chem B Date: 2007-07-12 Impact factor: 2.991

3. Treating entropy and conformational changes in implicit solvent simulations of small molecules.

Authors: David L Mobley; Ken A Dill; John D Chodera
Journal: J Phys Chem B Date: 2008-01-03 Impact factor: 2.991

4. Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules.

Authors: Emiliano Brini; S Shanaka Paranahewage; Christopher J Fennell; Ken A Dill
Journal: J Comput Aided Mol Des Date: 2016-09-08 Impact factor: 3.686

The importance of solute-solvent van der Waals interactions with interior atoms of biopolymers.

1. Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms.

2. Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.

3. Treating entropy and conformational changes in implicit solvent simulations of small molecules.

4. Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules.

Review 5. Biomolecular electrostatics and solvation: a computational perspective.

6. Comparison of the Quenching Effects of Two Main Components of Ziziphi Spinosae Semen on Serum Albumin Fluorescence.

7. Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulations.

8. Oil/water transfer is partly driven by molecular shape, not just size.

9. Implicit solvent model estimates of the stability of model structures of the alamethicin channel.

10. Implicit treatment of solvent dispersion forces in protein simulations.