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Nature Chemistry
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September 23, 2017
Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling
Nuria Plattner, Stefan Doerr, Gianni De Fabritiis, et al.
Journal of Chemical Information and Modeling
|
January 24, 2024
PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
Mariona Torrens-Fontanals, Panagiotis Tourlas, Stefan Doerr, et al.
Journal of Chemical Theory and Computation
|
June 17, 2020
AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive Sampling in Molecular Simulations
Adrià Pérez, Pablo Herrera-Nieto, Stefan Doerr, et al.
Global Change Biology
|
June 1, 2024
Into the unknown: The role of post-fire soil erosion in the carbon cycle
Antonio Girona-García, Diana Vieira, Stefan Doerr, et al.
Journal of Chemical Information and Modeling
|
April 8, 2025
QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials
Francesc Sabanés Zariquiey, Stephen E Farr, Stefan Doerr, et al.
International Journal of Radiation Oncology, Biology, Physics
|
February 9, 2011
Fractionated stereotactic radiotherapy in patients with optic nerve sheath meningioma
Frank Paulsen, Stefan Doerr, Helmut Wilhelm, et al.
Journal of Chemical Information and Modeling
|
July 20, 2019
A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning
Raimondas Galvelis, Stefan Doerr, João M Damas, et al.
Journal of Chemical Theory and Computation
|
July 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD
Stefan Doerr, Toni Giorgino, Gerard Martínez-Rosell, et al.
Journal of Chemical Theory and Computation
|
March 17, 2021
TorchMD: A Deep Learning Framework for Molecular Simulations
Stefan Doerr, Maciej Majewski, Adrià Pérez, et al.
Journal of Chemical Information and Modeling
|
January 3, 2022
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks
Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Nature Chemistry
|
September 23, 2017
Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling
Nuria Plattner, Stefan Doerr, Gianni De Fabritiis, et al.
Journal of Chemical Information and Modeling
|
January 24, 2024
PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data
Mariona Torrens-Fontanals, Panagiotis Tourlas, Stefan Doerr, et al.
Journal of Chemical Theory and Computation
|
June 17, 2020
AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive Sampling in Molecular Simulations
Adrià Pérez, Pablo Herrera-Nieto, Stefan Doerr, et al.
Global Change Biology
|
June 1, 2024
Into the unknown: The role of post-fire soil erosion in the carbon cycle
Antonio Girona-García, Diana Vieira, Stefan Doerr, et al.
Journal of Chemical Information and Modeling
|
April 8, 2025
QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials
Francesc Sabanés Zariquiey, Stephen E Farr, Stefan Doerr, et al.
International Journal of Radiation Oncology, Biology, Physics
|
February 9, 2011
Fractionated stereotactic radiotherapy in patients with optic nerve sheath meningioma
Frank Paulsen, Stefan Doerr, Helmut Wilhelm, et al.
Journal of Chemical Information and Modeling
|
July 20, 2019
A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning
Raimondas Galvelis, Stefan Doerr, João M Damas, et al.
Journal of Chemical Theory and Computation
|
July 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD
Stefan Doerr, Toni Giorgino, Gerard Martínez-Rosell, et al.
Journal of Chemical Theory and Computation
|
March 17, 2021
TorchMD: A Deep Learning Framework for Molecular Simulations
Stefan Doerr, Maciej Majewski, Adrià Pérez, et al.
Journal of Chemical Information and Modeling
|
January 3, 2022
PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks
Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, et al.
Page
of 2