✦ LIBER ✦

Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution

✍ Scribed by Levitt, Michael; Hirshberg, Miriam; Sharon, Ruth; Laidig, Keith E.; Daggett, Valerie

Book ID: 118173304
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 463 KB
Volume: 101
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp964020s

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Dynamical properties of water in aqueous

Dynamical properties of water in aqueous solutions of l-ascorbic and dehydroascorbic acids; molecular dynamics simulations

✍ M.C. Donnamaria; E. Caffarena; J. de Xammar Oro 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 445 KB

All-atom empirical force field for nucle

All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution

✍ MacKerell, Alexander D.; Banavali, Nilesh K. 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 300 KB 👁 3 views

Molecular dynamics simulations based on empirical force fields can greatly enhance knowledge of DNA and RNA structure and dynamics in solution. Presented are results on simulations of three DNA sequences and one RNA sequence using the new all-atom CHARMM27 force field for nucleic acids presented in

Comparison of protein solution structure

Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water

✍ Bin Xia; Vickie Tsui; David A. Case; H. Jane Dyson; Peter E. Wright 📂 Article 📅 2002 🏛 Springer Netherlands 🌐 English ⚖ 742 KB

Molecular-dynamics simulation of MgO sur

Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water

✍ de Leeuw, N.; Parker, S. 📂 Article 📅 1998 🏛 The American Physical Society 🌐 English ⚖ 405 KB

A combined density functional and molecu

A combined density functional and molecular dynamics simulation of a quantum water molecule in aqueous solution

✍ Dongqing Wei; D.R. Salahub 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 515 KB

A combined ab initio density functional and classical molecular dynamics simulation is carried out for a quantum water molecule in aquaeous solution. The dipole moment and ground state energy are obtained for SPC and TIP3P water models. Both local spin density and Perdew nonlocal fimctionals are use

The Dynamics of Protein Hydration Water:

The Dynamics of Protein Hydration Water: A Quantitative Comparison of Molecular Dynamics Simulations and Neutron-scattering Experiments

✍ Tarek, Mounir; Tobias, Douglas J. 📂 Article 📅 2000 🏛 Biophysical Society 🌐 English ⚖ 180 KB