Computational and Systems Biology

Latest articles

1. 1. Computational and Systems Biology
   2. Structural Biology and Molecular Biophysics

   Development of antibacterial compounds that constrain evolutionary pathways to resistance

   Yanmin Zhang et al.

   Integrated multi-scale, multi-tool approach to design novel 'evolution drugs' which can delay the emergence of antibiotic resistance by constraining bacterial evolutionary escape strategies.
2. 1. Computational and Systems Biology
   2. Medicine

   NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

   Homa MohammadiPeyhani et al.

   NICEdrug.ch is a resource allowing systematic and large-scale computational analysis of drug biochemistry, enzymatic targets, and toxicity in the context of cellular metabolism.
3. 1. Computational and Systems Biology
   2. Microbiology and Infectious Disease

   A covariation analysis reveals elements of selectivity in quorum sensing systems

   Wellington Miranda S et al.

   The extension of covariation analyses to proteins that coevolve but do not physically interact enabled identification of selectivity residues in quorum sensing proteins, providing insight into the evolution of signaling systems.
4. 1. Computational and Systems Biology
   2. Evolutionary Biology

   Fast and flexible estimation of effective migration surfaces

   Joseph Marcus et al.

   Fast and flexible estimation of effective migration surfaces (FEEMS) is a new statistical method that can quickly infer and visualize patterns of migration from genetic data with spatial coordinates.
5. 1. Computational and Systems Biology
   2. Epidemiology and Global Health

   Social fluidity mobilizes contagion in human and animal populations

   Ewan Colman et al.

   A new way of measuring sociality in human and animal contact networks reveals the link between social behavior, population density, and disease transmission.
6. 1. Computational and Systems Biology
   2. Neuroscience

   Interrogating theoretical models of neural computation with emergent property inference

   Sean R Bittner et al.

   Emergent property inference, a novel machine learning methodology, learns distributions of neural circuit model parameters that produce computational properties and provides novel scientific insight through the quantification of the rich parametric structure it captures.
7. 1. Cancer Biology
   2. Computational and Systems Biology

   Structural basis of the effect of activating mutations on the EGF receptor

   Ioannis Galdadas et al.

   Computational methods reveal how mutations affect the conformational landscape of the kinase domain of EGFR resulting in abnormal signaling and provide a structural framework for ongoing drug discovery efforts on mutant-specific EGFR inhibition.
8. 1. Chromosomes and Gene Expression
   2. Computational and Systems Biology

   Genome Organization: The loopy world of cohesin

   Kazuhiro Maeshima, Shiori Iida

   DNA loops can be formed by a mechanism in which the cohesin complex pulls DNA strands through its ring structure using biased Brownian motion.
9. 1. Chromosomes and Gene Expression
   2. Computational and Systems Biology

   A Brownian ratchet model for DNA loop extrusion by the cohesin complex

   Torahiko L Higashi et al.

   A structure-based model of the chromosomal cohesin complex, accompanied by molecular-mechanistic simulations, explains cohesin's key role in topologically entrapping DNA, as well as its ability to alternatively extrude DNA loops.
10. 1. Computational and Systems Biology

    The structural connectome constrains fast brain dynamics

    Pierpaolo Sorrentino et al.

    The fast spreading of neural activity across the brain has a complex structure, imposed by the white-matter bundles.