𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A fast computer algorithm for finding an optimum geometrical interaction of two macromolecules

✍ Scribed by Martin Šantavý; Jaroslav Kypr

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
403 KB
Volume
2
Category
Article
ISSN
0263-7855

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A fast algorithm for the computation of
A fast algorithm for the computation of an upper bound on the μ-norm
✍ Craig T. Lawrence; André L. Tits; Paul Van Dooren 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 269 KB

A fast algorithm for the computation of the optimally frequency-dependent scaled H -norm of a "nite-dimensional LTI system is presented. It is well known that this quantity is an upper bound to the ` -norma; furthermore, it was recently shown to play a special role in the context of slowly time-vary

An algorithm for the computer calculatio
An algorithm for the computer calculation of the coefficients of a polynomial that allows determination of isoelectric points of proteins and other macromolecules
✍ João Meireles Ribeiro; Antonio Sillero 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 623 KB

The isoelectric point (~1) of a macromolecule containing any number of acid-base residues can be expressed as a polynomial whose coefficients are related to both the number of acid-base residues present in the molecule and their K values. Polynomials of degree higher than 5 are too complicated to be

A multiple time step algorithm compatibl
A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations
✍ Vincent Kräutler; Philippe H. Hünenberger 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 224 KB

## Abstract A new algorithm is introduced to perform the multiple time step integration of the equations of motion for a molecular system, based on the splitting of the nonbonded interactions into a series of distance classes. The interactions between particle pairs in successive classes are update