ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design.

ABSTRACT:

Motivation

The rational design of biomolecules is becoming a reality. However, further computational tools are needed to facilitate and accelerate this, and to make it accessible to more users.

Results

Here we introduce ISAMBARD, a tool for structural analysis, model building and rational design of biomolecules. ISAMBARD is open-source, modular, computationally scalable and intuitive to use. These features allow non-experts to explore biomolecular design in silico. ISAMBARD addresses a standing issue in protein design, namely, how to introduce backbone variability in a controlled manner. This is achieved through the generalization of tools for parametric modelling, describing the overall shape of proteins geometrically, and without input from experimentally determined struct

SUBMITTER: Wood CW 

PROVIDER: S-EPMC5870769 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature