✦ LIBER ✦

Distribution-free computer methods for analysing ligand binding and enzyme mechanisms

✍ Scribed by M.James C. Crabbe

Book ID: 103051258
Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 798 KB
Volume: 15
Category: Article
ISSN: 0010-4825
DOI: 10.1016/0010-4825(85)90024-1

No coin nor oath required. For personal study only.

✦ Synopsis

BASIC computer programs have been designed to calculate enzyme kinetic and ligand binding parameters using distribution-free methods. Statistical estimates for the parameters can be calculated, and models distinguished by the F-test. Integrated rate equations are derived for complex enzyme mechanisms.

📜 SIMILAR VOLUMES

A new method for predicting binding free

A new method for predicting binding free energy between receptor and ligand

✍ Yoshihiro Takamatsu; Akiko Itai 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 176 KB

## ABSRTACT A practical method to estimate binding free energy, ⌬ ⌬ ⌬ ⌬G bind , of a given ligand structure to the target receptor has been developed. The method assumes that ⌬ ⌬ ⌬ ⌬G bind is given by the summation of intermolecular interaction energy, ⌬ ⌬ ⌬ ⌬G inter , and partial desolvation ener

New and fast statistical-thermodynamic m

New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy

✍ A. M. Ruvinsky; A. V. Kozintsev 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 101 KB 👁 1 views

## Abstract We present a novel method to estimate the contributions of translational and rotational entropy to protein‐ligand binding affinity. The method is based on estimates of the configurational integral through the sizes of clusters obtained from multiple docking positions. Cluster sizes are

An analysis of non-linear Eadie-Hofstee-

An analysis of non-linear Eadie-Hofstee-Scatchard representations of ligand-binding and initial-rate data for allosteric and other complex enzyme mechanisms

✍ Robert E. Childs; William G. Bardsley 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 705 KB

Modelling and analysing a distributed dy

Modelling and analysing a distributed dynamic channel allocation algorithm for mobile computing using high-level net methods

✍ Leo Ojala; Nisse Husberg; Teemu Tynjälä 📂 Article 📅 2001 🏛 Springer 🌐 English ⚖ 263 KB

Computational methods for the study of e

Computational methods for the study of enzymic reaction mechanisms III: A perturbation plus QM/MM approach for calculating relative free energies of protonation

✍ Peter L. Cummins; Jill E. Gready 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 298 KB

## Abstract We describe a coupling parameter, that is, perturbation, approach to effectively create and annihilate atoms in the quantum mechanical Hamiltonian within the closed shell restricted Hartree–Fock formalism. This perturbed quantum mechanical atom (PQA) method is combined with molecular me

Minimum sequence requirements for select

Minimum sequence requirements for selective RNA-ligand binding: A molecular mechanics algorithm using molecular dynamics and free-energy techniques

✍ Peter C. Anderson; Sandro Mecozzi 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 361 KB

## Abstract __In vitro__ evolution techniques allow RNA molecules with unique functions to be developed. However, these techniques do not necessarily identify the simplest RNA structures for performing their functions. Determining the simplest RNA that binds to a particular ligand is currently limi