With the financial requirements and high time associated with bringing a commercial drug to
the market, the application of computer-aided drug design has been recognized as a …

The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

Aptamers are short nucleic acid sequences capable of specific, high-affinity molecular
binding. They are isolated via SELEX (Systematic Evolution of Ligands by Exponential …

Protein-protein docking programs can give valuable insights into the structure of protein
complexes in the absence of an experimental complex structure. Web interfaces can …

Recognition of single-stranded DNA (ssDNA) or single-stranded RNA (ssRNA) is important
for many fundamental cellular functions. A variety of single-stranded DNA-binding proteins …

Modeling biomolecular assemblies is an important field in computational structural biology.
The inherent complexity of their energy landscape and the computational cost associated …

Computational protein–protein docking is one of the most intensively studied topics in
structural bioinformatics. The field has made substantial progress through over three …

Protein-protein docking programs can give valuable insights into the structure of protein
complexes in the absence of an experimental complex structure. Web interfaces can …

The computational modeling field has vastly evolved over the past decades. The early
developments of simplified protein systems represented a stepping stone towards …