KVFinder-web: a web-based application for detecting and characterizing biomolecular cavities.

ABSTRACT: Molecular interactions that modulate catalytic processes occur mainly in cavities throughout the molecular surface. Such interactions occur with specific small molecules due to geometric and physicochemical complementarity with the receptor. In this scenario, we present KVFinder-web, an open-source web-based application of parKVFinder software for cavity detection and characterization of biomolecular structures. The KVFinder-web has two independent components: a RESTful web service and a web graphical portal. Our web service, KVFinder-web service, handles client requests, manages accepted jobs, and performs cavity detection and characterization on accepted jobs. Our graphical web portal, KVFinder-web portal, provides a simple and straightforward page for cavity analysis, which customizes d

SUBMITTER: Guerra JVS 

PROVIDER: S-EPMC10320092 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature