Octav Caldararu

According to our database, Octav Caldararu authored at least 6 papers between 2016 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Three Simple Properties Explain Protein Stability Change upon Mutation.

Octav Caldararu, Tom L. Blundell, Kasper P. Kepp

J. Chem. Inf. Model., 2021

A base measure of precision for protein stability predictors: structural sensitivity.

Octav Caldararu, Tom L. Blundell, Kasper P. Kepp

BMC Bioinform., 2021

2020

Systematic Investigation of the Data Set Dependency of Protein Stability Predictors.

Octav Caldararu, Rukmankesh Mehra, Tom L. Blundell, Kasper P. Kepp

J. Chem. Inf. Model., 2020

2018

Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methods.

Octav Caldararu, Martin A. Olsson, Majda Misini Ignjatovic, Meiting Wang, Ulf Ryde

J. Comput. Aided Mol. Des., 2018

2017

Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T).

Octav Caldararu, Martin A. Olsson, Christoph Riplinger, Frank Neese, Ulf Ryde

J. Comput. Aided Mol. Des., 2017

2016

Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations.

Majda Misini Ignjatovic, Octav Caldararu, Geng Dong, Camila Muñoz-Gutiérrez, Francisco Adasme-Carreño, Ulf Ryde

J. Comput. Aided Mol. Des., 2016