𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Atom-atom potential functions for simulation of DNA—counterion interaction in aqueous solution

✍ Scribed by A. V. Teplukhin; G. G. Malenkov; V. I. Poltev

Publisher
Springer
Year
1998
Tongue
English
Weight
640 KB
Volume
47
Category
Article
ISSN
1573-9171

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Simulation of intermolecular and intramo
Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom–atom potential functions
✍ V. I. Poltev 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 342 KB

## Abstract Atom–atom potential functions for calculation of nonbonded interaction energies of nucleic acids are proposed. Quantitative reliability of the obtained results is checked by using the calculations of intermolecular interaction energy in crystals. Based on the calculations of the interac

Ab initio copper–water interaction poten
Ab initio copper–water interaction potential for the simulation of aqueous solutions
✍ M. Natália; D.S. Cordeiro; José A.N.F. Gomes 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 1005 KB

## Abstract A new __ab initio__ effective two‐body potential that aims at mimicking the average copper–water interaction energy of the first solvation shell was developed. This new potential, together with the MCY water–water potential and a three‐body ion–water–water induction potential, is tested

Polarization constraints in molecular dy
Polarization constraints in molecular dynamics simulation of aqueous solutions: The surface constraint all atom solvent (SCAAS) model
✍ A. Warshel; G. King 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 434 KB

A dynamical all-atom surktce-consrminsd model [or simulation or ions in polar solvrnrs is presented. This model. which is based on the previously proposed SCSSD modtl. conccnlrarcs on the key elccwosrnric aspecl or solvent polarization. The constraint or the model ensure thal the polarizalion and ol