Alžbeta Kubincová

6PUBLICATIONS
11CO-AUTHORS
Biomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational modelling and simulation in earth sciencesStatistical mechanics in chemistry
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (6)

|Jul 16, 2026
Benchmarking Docking Protocols on Predicting Alternative Binding Modes.

|Jul 07, 2026
Bridging between Structure-Based and Data-Driven Affinity Prediction.

|Feb 12, 2026
A simple compound prioritization method for drug discovery considering multi-target binding.

Alžbeta Kubincová, David L Mobley

|Dec 15, 2023
Simulation of aqueous solutes using the adaptive solvent-scaling (AdSoS) scheme.

Alžbeta Kubincová, Sereina Riniker, Philippe H Hünenberger

|Sep 15, 2022
Leveraging the sampling efficiency of RE-EDS in OpenMM using a shifted reaction-field with an atom-based cutoff.

Salomé R Rieder, Benjamin Ries, Alžbeta Kubincová

|Aug 16, 2020
An Alternative to Conventional λ-Intermediate States in Alchemical Free Energy Calculations: λ-Enveloping Distribution Sampling.

Gerhard König, Nina Glaser, Benjamin Schroeder

Pageof 1

Frequent Collaborators

3 joint publications

Philippe H Hünenberger

3 joint publications

Sereina Riniker

3 joint publications

David L Mobley

1 joint publications

Gerhard König