✦ LIBER ✦

On energy formulations of electrostatics for continuum media

✍ Scribed by Liu, Liping

Book ID: 120272765
Publisher: Elsevier Science
Year: 2013
Tongue: English
Weight: 614 KB
Volume: 61
Category: Article
ISSN: 0022-5096
DOI: 10.1016/j.jmps.2012.12.007

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Atomic Radii for Continuum Electrostatic

Atomic Radii for Continuum Electrostatics Calculations Based on Molecular Dynamics Free Energy Simulations

✍ Nina, Mafalda; Beglov, Dmitri; Roux, Benoît 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 240 KB

Efficient Evaluation of Binding Free Ene

Efficient Evaluation of Binding Free Energy Using Continuum Electrostatics Solvation

✍ Huang, Danzhi; Caflisch, Amedeo 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 128 KB

Atomic Radii for Continuum Electrostatic

Atomic Radii for Continuum Electrostatics Calculations on Nucleic Acids

✍ Banavali, Nilesh K.; Roux, Benoıt 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 155 KB

Continuum Electrostatic Energies of Macr

Continuum Electrostatic Energies of Macromolecules in Aqueous Solutions

✍ Scarsi, Marco; Apostolakis, Joannis; Caflisch, Amedeo 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 224 KB

Comment on the validation of continuum e

Comment on the validation of continuum electrostatics models

✍ Scarsi, Marco; Caflisch, Amedeo 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB 👁 2 views

A validation based on solvation energies (vacuum to water transfer) is not sufficient to justify the use of approximated models of electrostatics to rank ligand/protein complexes. A full validation should be based on energies in solution, i.e., solvation plus vacuum Coulomb energies, because of the

Energy functions for protein design I: E

Energy functions for protein design I: Efficient and accurate continuum electrostatics and solvation

✍ Navin Pokala; Tracy M. Handel 📂 Article 📅 2004 🏛 Cold Spring Harbor Laboratory Press 🌐 English ⚖ 196 KB