NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual.

ABSTRACT: Analyzing molecular surfaces to predict functional sites and identify protein cavities for small molecule binding is essential in structural biology and drug discovery, particularly when targeting allosteric sites or designing PROTACs. Moreover, measuring properties like volume, surface area, and pockets' chemical descriptors helps in understanding protein function and improving drug development. Over the past decades, numerous surface and pocket-detection tools have been developed. While these tools provide valuable insights, they often require extensive postprocessing of text output files, making the analysis workflow cumbersome. To address this limitation, we introduce NanoShaperWeb, a web server that not only provides the computational capabilities of NanoShaper but also eliminates the

SUBMITTER: Abate C 

PROVIDER: S-EPMC12308785 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature