E-LIB Suche - Ergebnisse für: Doerr, Stefan

1

Into the unknown: The role of post‐fire soil erosion in the..:

Girona‐García, Antonio ; Vieira, Diana ; Doerr, Stefan..
Global Change Biology. 30 (2024) 6 - p. , 2024

Link: https://doi.org/10.1111/..

2

3DFin: a software for automated 3D forest inventories from ..:

Laino, Diego ; Cabo, Carlos ; Prendes, Covadonga...
Forestry: An International Journal of Forest Research. , 2024

Link: https://doi.org/10.1093/..

3

TorchMD-Net 2.0: Fast Neural Network Potentials for Molecul..:

Pelaez, Raul P. ; Simeon, Guillem ; Galvelis, Raimondas...
Journal of Chemical Theory and Computation. 20 (2024) 10 - p. 4076-4087 , 2024

Link: https://doi.org/10.1021/..

4

PlayMolecule Viewer: A Toolkit for the Visualization of Mol..:

Torrens-Fontanals, Mariona ; Tourlas, Panagiotis ; Doerr, Stefan.
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 584-589 , 2024

Link: https://doi.org/10.1021/..

5

Introduction: FIRElinks, a Community for Society and Scienc:

, In: Fire Hazards: Socio-economic and Regional Issues,

Rodrigo-Comino, Jesús ; Cerdà, Artemi ; Doerr, Stefan... - p. 1-15 , 2024

Link: https://doi.org/10.1007/..

6

NNP/MM: Accelerating Molecular Dynamics Simulations with Ma..:

Galvelis, Raimondas ; Varela-Rial, Alejandro ; Doerr, Stefan...
Journal of Chemical Information and Modeling. 63 (2023) 18 - p. 5701-5708 , 2023

Link: https://doi.org/10.1021/..

7

Machine learning coarse-grained potentials of protein therm..:

Majewski, Maciej ; Pérez, Adrià ; Thölke, Philipp...
Nature Communications. 14 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

8

Membrane Composition and Raf[CRD]-Membrane Attachment Are D..:

Andreadelis, Ioannis ; Kiriakidi, Sofia ; Lamprakis, Christos...
The Journal of Physical Chemistry B. 126 (2022) 7 - p. 1504-1519 , 2022

Link: https://doi.org/10.1021/..

9

PlayMolecule Glimpse: Understanding Protein–Ligand Property..:

Varela-Rial, Alejandro ; Maryanow, Iain ; Majewski, Maciej...
Journal of Chemical Information and Modeling. 62 (2022) 2 - p. 225-231 , 2022

Link: https://doi.org/10.1021/..

10

TorchMD: A Deep Learning Framework for Molecular Simulation:

Doerr, Stefan ; Majewski, Maciej ; Pérez, Adrià...
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2355-2363 , 2021

Link: https://doi.org/10.1021/..

11

AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive..:

Pérez, Adrià ; Herrera-Nieto, Pablo ; Doerr, Stefan.
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4685-4693 , 2020

Link: https://doi.org/10.1021/..

12

A Scalable Molecular Force Field Parameterization Method Ba..:

Galvelis, Raimondas ; Doerr, Stefan ; Damas, João M...
Journal of Chemical Information and Modeling. 59 (2019) 8 - p. 3485-3493 , 2019

Link: https://doi.org/10.1021/..

13

Author Correction: Dopamine D3 receptor antagonist reveals ..:

Ferruz, Noelia ; Doerr, Stefan ; Vanase-Frawley, Michelle A....
Scientific Reports. 9 (2019) 1 - p. , 2019

Link: https://doi.org/10.1038/..

14

Dopamine D3 receptor antagonist reveals a cryptic pocket in..:

Ferruz, Noelia ; Doerr, Stefan ; Vanase-Frawley, Michelle A....
Scientific Reports. 8 (2018) 1 - p. , 2018

Link: https://doi.org/10.1038/..

15

Determination of forest fuels characteristics in mortality-..:

Romero Ramirez, Francisco J. ; Navarro-Cerrillo, Rafael Mª. ; Varo-Martínez, Mª. Ángeles...
International Journal of Applied Earth Observation and Geoinformation. 68 (2018) - p. 157-167 , 2018

Link: https://doi.org/10.1016/..