Erik Lindahl

Orcid: 0000-0002-2734-2794

According to our database1, Erik Lindahl authored at least 34 papers between 2005 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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Links

On csauthors.net:

Bibliography

2024
Simulating the Skin Permeation Process of Ionizable Molecules.
J. Chem. Inf. Model., 2024

GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability.
CoRR, 2024

2023
Understanding Drug Skin Permeation Enhancers Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., August, 2023

Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach.
PLoS Comput. Biol., 2023

2021
Experiences With Adding SYCL Support to GROMACS.
Proceedings of the IWOCL'21: International Workshop on OpenCL, Munich Germany, April, 2021, 2021

2020
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS.
CoRR, 2020

2019
Ten simple rules on how to create open access and reproducible molecular simulations of biological systems.
PLoS Comput. Biol., 2019

Sharing Data from Molecular Simulations.
J. Chem. Inf. Model., 2019

eBDIMS server: protein transition pathways with ensemble analysis in 2D-motion spaces.
Bioinform., 2019

The Future of Swedish e-Science: SeRC 2.0.
Proceedings of the 15th International Conference on eScience, 2019

2018
e-Science in Scandinavia - The Case of the Swedish e-Science Research Center.
Inform. Spektrum, 2018

2017
Copernicus, a hybrid dataflow and peer-to-peer scientific computing platform for efficient large-scale ensemble sampling.
Future Gener. Comput. Syst., 2017

2016
The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the <i>Shaker</i> Voltage-Gated Potassium Channel.
PLoS Comput. Biol., 2016

2014
An efficient and extensible format, library, and API for binary trajectory data from molecular simulations.
J. Comput. Chem., 2014

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS.
Proceedings of the Solving Software Challenges for Exascale, 2014

2013
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
Bioinform., 2013

2012
Molecular Mechanism for the Dual Alcohol Modulation of Cys-loop Receptors.
PLoS Comput. Biol., 2012

Improved model quality assessment using ProQ2.
BMC Bioinform., 2012

Preparing Scientific Application Software for Exascale Computing.
Proceedings of the Applied Parallel and Scientific Computing, 2012

2011
Copernicus: a new paradigm for parallel adaptive molecular dynamics.
Proceedings of the Conference on High Performance Computing Networking, 2011

Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures.
Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, 2011

2010
Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails.
PLoS Comput. Biol., 2010

Modeling Anesthetic Binding Sites within the Glycine Alpha One Receptor Based on Prokaryotic Ion Channel Templates: The Problem with TM4.
J. Chem. Inf. Model., 2010

A high-performance parallel-generalized born implementation enabled by tabulated interaction rescaling.
J. Comput. Chem., 2010

Model quality assessment for membrane proteins.
Bioinform., 2010

2009
Conformational Changes and Slow Dynamics through Microsecond Polarized Atomistic Molecular Simulation of an Integral Kv1.2 Ion Channel.
PLoS Comput. Biol., 2009

2008
Effect of Cobratoxin Binding on the Normal Mode Vibration within Acetylcholine Binding Protein.
J. Chem. Inf. Model., 2008

Architecture-aware design of a decimation filter based on a dual wordlength multiply-accumulate unit.
Proceedings of the 42nd Asilomar Conference on Signals, Systems and Computers, 2008

2007
Normal-Mode Analysis of the Glycine Alpha1 Receptor by Three Separate Methods.
J. Chem. Inf. Model., 2007

Speeding up parallel GROMACS on high-latency networks.
J. Comput. Chem., 2007

2006
NOMAD-Ref: visualization, deformation and refinement of macromolecular structures based on all-atom normal mode analysis.
Nucleic Acids Res., 2006

PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics.
Nucleic Acids Res., 2006

Improved GROMACS Scaling on Ethernet Switched Clusters.
Proceedings of the Recent Advances in Parallel Virtual Machine and Message Passing Interface, 2006

2005
GROMACS: Fast, flexible, and free.
J. Comput. Chem., 2005


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