Advances and Challenges in Computational Target Prediction

Facing the challenges of computational target prediction

To which proteins does a compound bind? Is it selective or promiscuous? These are questions which can be answered by inverse virtual screening, which identifies potential targets for a molecule of interest. Experimental screening of a molecule on thousands of targets is costly and elaborate. Contrarily, structure-based computational methods are only limited by the availability of 3D structures,...

Computational aerodynamics: Advances and challenges

Computational aerodynamics, which complement more expensive empirical approaches, are critical for developing aerospace vehicles. During the past three decades, computational aerodynamics capability has improved remarkably, following advances in computer hardware and algorithm development. However, most of the fundamental computational capability realised in recent applications is derived from ...

Advances and challenges in computational plasma science

Scientific simulation, which provides a natural bridge between theory and experiment, is an essential tool for understanding complex plasma behaviour. Recent advances in simulations of magnetically confined plasmas are reviewed in this paper, with illustrative examples, chosen from associated research areas such as microturbulence, magnetohydrodynamics and other topics. Progress has been stimul...

Advances and Challenges in Computational Prediction of Effectors from Plant Pathogenic Fungi

1 CSIRO Agriculture Flagship, Centre for Environment and Life Sciences, Perth, Western Australia, Australia, 2 CSIRO Agriculture Flagship, Black Mountain Laboratories, Canberra, Australian Capital Territory, Australia, 3 CSIRO Agriculture Flagship, Queensland Bioscience Precinct, Brisbane, Queensland, Australia, 4 University of Western Australia Institute of Agriculture, University of Western A...

Advances and challenges in recombinant protein expression in Escherichia coli