Octav Caldararu

Publication Activity (10 Years)

Years Active: 2016-2021
Publications (10 Years): 6

Top Topics

Grand Challenge

Protein Sequences

Clustering Solutions

Subcellular Localization

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Octav Caldararu, Tom L. Blundell, Kasper P. Kepp
A base measure of precision for protein stability predictors: structural sensitivity. BMC Bioinform. 22 (1) (2021)
Octav Caldararu, Tom L. Blundell, Kasper P. Kepp
Three Simple Properties Explain Protein Stability Change upon Mutation. J. Chem. Inf. Model. 61 (4) (2021)
Octav Caldararu, Rukmankesh Mehra, Tom L. Blundell, Kasper P. Kepp
Systematic Investigation of the Data Set Dependency of Protein Stability Predictors. J. Chem. Inf. Model. 60 (10) (2020)
Octav Caldararu, Martin A. Olsson, Majda Misini Ignjatovic, Meiting Wang, Ulf Ryde
Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methods. J. Comput. Aided Mol. Des. 32 (10) (2018)
Octav Caldararu, Martin A. Olsson, Christoph Riplinger, Frank Neese, Ulf Ryde
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T). J. Comput. Aided Mol. Des. 31 (1) (2017)
Majda Misini Ignjatovic, Octav Caldararu, Geng Dong, Camila Muñoz-Gutiérrez, Francisco Adasme-Carreño, Ulf Ryde
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations. J. Comput. Aided Mol. Des. 30 (9) (2016)