The role of computational tools in drug discovery and development is becoming increasingly important due to the rapid development of computing power and advancements in computational chemistry and ...

The associated paper is published on Computer Physics Communications. Please cite this article as: T. Qin, Q. Zhang, R.M. Wentzcovitch et al., qha: A Python package for quasiharmonic free energy ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...

The assignment of function to proteins at a large scale is essential for understanding the molecular mechanism of life. However, only a very small percentage of the more than 179 million proteins in ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...

Elastin enables the reversible deformation of elastic tissues and can withstand decades of repetitive forces. Tropoelastin is the soluble precursor to elastin, the main elastic protein found in ...

Fibrillin-1 is a 330-kDa multidomain extracellular matrix protein that polymerizes to form 57-nm periodic microfibrils, which are essential for all tissue elasticity. Fibrillin-1 is a member of the ...

The field of computational biology has been revolutionized by recent advances in genomics. The completion of a number of genome projects, including that of the human genome, has paved the way toward a ...