Octav Caldararu

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 5

Top Topics

Convolutional Neural Network

Crystal Structure

Molecular Dynamics

Top Venues

BMC bioinformatics

Acta crystallographica. Section D, Structural biology

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Vinardas Kelpšas, Octav Caldararu, Matthew P Blakeley, Nicolas Coquelle, Rikkert K Wierenga, Ulf Ryde, Claes von Wachenfeldt, Esko Oksanen
Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. IUCrJ 8 (Pt 4) (2021)
Octav Caldararu, Vilhelm Ekberg, Derek T Logan, Esko Oksanen, Ulf Ryde
Exploring ligand dynamics in protein crystal structures with ensemble refinement. Acta crystallographica. Section D, Structural biology 77 (Pt 8) (2021)
Octav Caldararu, Thomas L Blundell, Kasper P Kepp
A base measure of precision for protein stability predictors: structural sensitivity. BMC bioinformatics 22 (1) (2021)
Octav Caldararu, Majda Misini Ignjatović, Esko Oksanen, Ulf Ryde
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structures. RSC advances 10 (14) (2020)
Octav Caldararu, Esko Oksanen, Ulf Ryde, Erik Donovan Hedegård
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase. Chemical science 10 (2) (2018)