Computations of absolute solvation free energies of small molecules using explicit and implicit solvent model

D Shivakumar, Y Deng, B Roux - Journal of Chemical Theory and …, 2009 - ACS Publications
Accurate determination of absolute solvation free energy plays a critical role in numerous
areas of biomolecular modeling and drug discovery. A quantitative representation of ligand …
被引用次数：181 相关文章

Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model.

D Shivakumar, Y Deng, B Roux - Journal of Chemical Theory and …, 2009 - europepmc.org
Accurate determination of absolute solvation free energy plays a critical role in numerous
areas of biomolecular modeling and drug discovery. A quantitative representation of ligand …
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[PDF][PDF] Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model

D Shivakumar, Y Deng, B Roux - J. Chem. Theory Comput, 2009 - academia.edu
Accurate determination of absolute solvation free energy plays a critical role in numerous
areas of biomolecular modeling and drug discovery. A quantitative representation of ligand …

[引用][C] Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model

D Shivakumar, Y Deng, B Roux - Journal of Chemical Theory and …, 2009 - infona.pl
Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and
Implicit Solvent Model × Close The Infona portal uses cookies, ie strings of text saved by a …

Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model

D Shivakumar, Y Deng, B Roux - Journal of chemical …, 2009 - pubmed.ncbi.nlm.nih.gov
Accurate determination of absolute solvation free energy plays a critical role in numerous
areas of biomolecular modeling and drug discovery. A quantitative representation of ligand …

[引用][C] Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model

D Shivakumar, Y Deng, B Roux - Journal of Chemical Theory and …, 2009 - cir.nii.ac.jp
Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and
Implicit Solvent Model | CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 詳細 …

Computations of absolute solvation free energies of small molecules using explicit and implicit solvent model.

D Shivakumar, Y Deng, B Roux - J. Chem. Theory Comput., 2009 - osti.gov
Accurate determination of absolute solvation free energy plays a critical role in numerous
areas of biomolecular modeling and drug discovery. A quantitative representation of ligand …