J. Meinke

发表

The Mont-Blanc Prototype: An Alternative Approach for HPC Systems

Eduard Ayguadé, Mateo Valero, Jesús Labarta, 2016, SC16: International Conference for High Performance Computing, Networking, Storage and Analysis.

Simulation of Top7-CFr: A transient helix extension guides folding

Ulrich H E Hansmann, Olav Zimmermann, Sandipan Mohanty, 2008, Proceedings of the National Academy of Sciences.

Computer simulation of proteins: thermodynamics and structure prediction

S. Mohanty, W. Nadler, U. Hansmann, 2009 .

The impact of current and future control measures on the spread of COVID-19 in Germany

J. Fuhrmann, M. V. Barbarossa, J. Meinke, 2020, medRxiv.

Modeling the spread of COVID-19 in Germany: Early assessment and possible scenarios

J. Fuhrmann, M. V. Barbarossa, J. Meinke, 2020, PloS one.

Comparing Semi-Empirical versus Classic Charge Assignments in BioMolecules and their Effect on Electrostatic Potentials

S. Mohanty, U. Hansmann, J. Meinke, 2007 .

Folding proteins by first-passage-times-optimized replica exchange.

Ulrich H E Hansmann, Walter Nadler, W. Nadler, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

Short-term forecasting of COVID-19 in Germany and Poland during the second wave - a preregistered study

D. Bertsimas, T. Gneiting, J. Deuschel, 2020, medRxiv.

Protein simulations combining an all-atom force field with a Go term

U. Hansmann, J. Meinke, 2009, 0908.0419.

Characterization of the Quinolone-Gyrase-Interaction Using Docking , Molecular-Dynamics and Site-Directed Mutagenesis

S. Mohanty, W. Nadler, U. Hansmann, 2008 .

Aggregation of β-amyloid fragments

U. Hansmann, J. Meinke, 2007 .

Stabilizing Regions in Membrane Proteins

S. Mohanty, D. Labudde, W. Nadler, 2008 .

National and subnational short-term forecasting of COVID-19 in Germany and Poland during early 2021

M. L. Li, D. Bertsimas, T. Gneiting, 2022, Communications Medicine.

Coarse-Grained Simulations of Protein Adsorption on Solid Surfaces

J. Neumann, L. Santen, S. Mohanty, 2008 .

Investigation of Structure of Amphipathic Peptides in Different Environments via Replica Exchange Molecular Dynamics Simulations

S. Mohanty, U. Hansmann, J. Meinke, 2008 .

The Zinc-Finger Motif of T . thermophilus Ribosomal Protein S 14 and the Functionality of E . coli Ribosomes

S. Mohanty, U. Hansmann, J. Meinke, 2007 .

Institute for Computing DNA Packaging and Electrostatic Interactions

J. Neumann, S. Mohanty, J. Meinke, 2007 .

A first study on the impact of current and future control measures on the spread of COVID-19 in Germany

Maria Vittoria Barbarossa, Jan Fuhrmann, J. Fuhrmann, 2020, medRxiv.

Conservation Analysis of Functional Important Residues of the Oxygen Evolving Mechanism Located in the D1 Subunit of Photosystem II

S. Mohanty, W. Nadler, U. Hansmann, 2008 .

Folding of Top7 in unbiased all‐atom Monte Carlo simulations

S. Mohanty, J. Meinke, O. Zimmermann, 2013, Proteins.

Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability

Godehard Sutmann, Rene Halver, Jan H. Meinke, 2020, J. Parallel Distributed Comput..

Anisotropic Internucleosome Interactions and Geometrical Constraints Favour the Two-Start Helical Structure of Chromatin

G. Cinacchi, S. Mohanty, G. Penna, 2007 .

Determining RNA Flexibility by Graph Theory : Ribosomal Exit Tunnel as a Case Study

H. Gohlke, S. Fulle, S. Mohanty, 2008 .

Direct visualization of dislocation dynamics in grain-boundary scars

David R Nelson, Andreas R Bausch, M. Bowick, 2005, Nature materials.

A pre-registered short-term forecasting study of COVID-19 in Germany and Poland during the second wave

G. Obozinski, D. Bertsimas, Lingxiao Wang, 2021, Nature Communications.

Exploring Conformational Space and Dynamics of RNA Hairpins by MD Simulations : Structure-Function Correlation of HIV-1 Genome Regulatory Elements

T. Kulinski, S. Mohanty, U. Hansmann, 2007 .

Developing Exascale Computing at JSC

E. D. Napoli, B. Mohr, D. Pleiter, 2020 .

Linking Physics and Algorithms in the Random-Field Ising Model

A. Middleton, J. Meinke, 2005, cond-mat/0502471.

Exploring Optimization for the Random-Field Ising Model

A. Middleton, J. Meinke, D. Hambrick, 2005, cond-mat/0501269.

2 1 F eb 2 00 5 Linking physics and algorithms in the random-field Ising model

A. Middleton, J. Meinke, 2018 .

Protein-Ligand Docking Including Protein Flexibility: A Hierarchical Approach

S. Mohanty, U. Hansmann, J. Meinke, 2008 .

John von Neumann Institute for Computing A Network-Based Approach to Biomolecular Dynamics

J. C. Smith, C. Schütte, F. Noé, 2007 .

Free‐energy‐driven folding and thermodynamics of the 67‐residue protein GS‐α3W—A large‐scale Monte Carlo study

Ulrich H. E. Hansmann, Jan H. Meinke, U. Hansmann, 2009, J. Comput. Chem..

Simulating the Early Steps of Amyloid Fibril Formation and Disassembly

S. Mohanty, U. Hansmann, J. Meinke, 2008 .

The Mont-Blanc prototype: an alternative approach for high-performance computing systems

Jean-François Méhaut, Axel Auweter, Xavier Martorell Bofill, 2016 .

Constraint Network Analysis : Exploiting the Link Between Protein Rigidity and Thermostability

H. Gohlke, S. Mohanty, W. Nadler, 2008 .

SMMP v. 3.0 - Simulating proteins and protein interactions in Python and Fortran

Ulrich H. E. Hansmann, Jan H. Meinke, Sandipan Mohanty, 2008, Comput. Phys. Commun..

GPUMAFIA: Efficient Subspace Clustering with MAFIA on GPUs

Jiri Kraus, Andrew V. Adinetz, Dirk Pleiter, 2013, Euro-Par.

The Locally Enhanced Sampling Study of Large Ligands Diffusion inside Enzyme . Acrylonitrile and Acrylamide Journey in Nitrile Hydratase

S. Mohanty, U. Hansmann, J. Meinke, 2007 .

Exploration of the Energy Landscape of Protein-Protein and Antibody-Antigen Interactions

W. Nadler, U. Hansmann, J. Meinke, 2008 .