✦ LIBER ✦

Development and current status of the CHARMM force field for nucleic acids

✍ Scribed by Alexander D. MacKerell Jr.; Nilesh Banavali; Nicolas Foloppe

Publisher: Wiley (John Wiley & Sons)
Year: 2000
Tongue: English
Weight: 90 KB
Volume: 56
Category: Article
ISSN: 0006-3525
DOI: 10.1002/1097-0282(2000)56:4<257::aid-bip10029>3.0.co;2-w

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Review of the development and current st

Review of the development and current status of techniques for monitoring embryonic and fetal development in the first trimester of pregnancy

✍ Ward, Humphry 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 259 KB 👁 2 views

Determination of force fields for nuclei

Determination of force fields for nucleic acid bases. use of the ultraviolet resonance Raman intensities to check the vibrational assignments

✍ P. Lagant; G. Vergoten; W. L. Peticolas 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 82 KB 👁 1 views

The vibrational properties of some nucleic acid bases were investigated by normal coordinate analyses. To check the validity of a particular force field, the resonance Raman intensities were calculated using molecular orbital calculations and the determination of changes in bond orders occurring dur

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 👁 1 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

Development of a Q2MM Force Field for th

Development of a Q2MM Force Field for the Silver(I)-Catalyzed Hydroamination of Alkynes

✍ Patrick J. Donoghue; Elsa Kieken; Paul Helquist; Olaf Wiest 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB 👁 1 views

On the use of ultraviolet resonance Rama

On the use of ultraviolet resonance Raman intensities to elaborate molecular force fields: Application to nucleic acid bases and aromatic amino acid residues models

✍ P. Lagant; G. Vergoten; W. L. Peticolas 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 177 KB 👁 1 views

Normal modes analyses for different molecules with biological interest have been performed and checked via the calculation of resonance Raman intensities. For this purpose, molecular orbital calculations were used to determine bond order changes in the lowest-lying electronic transitions. These bond