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A Hybrid Hamiltonian for the Accelerated Sampling along Experimental Restraints

International journal of molecular sciences, 2019-01, Vol.20 (2), p.370

2019

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Enriched Conformational Sampling of DNA and Proteins with a Hybrid Hamiltonian Derived from the Protein Data Bank

International journal of molecular sciences, 2018-10, Vol.19 (11), p.3405

2018

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An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (26), p.17373-17382

2017

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Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing Double Mutation MYBPC3Δ25bp/D389V

International journal of molecular sciences, 2021-11, Vol.22 (21), p.11949

2021

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The inhibitory effect of a coronavirus spike protein fragment with ACE2

Biophysical journal, 2021-03, Vol.120 (6), p.1001-1010

2021

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Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation

The Journal of chemical physics, 2017-12, Vol.147 (21), p.214902-214902

Peter, Emanuel K.

2017

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pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences

Bioinformatics, 2020-04, Vol.36 (7), p.2264-2265

2020

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Evaluating DCA-based method performances for RNA contact prediction by a well-curated data set

RNA (Cambridge), 2020-07, Vol.26 (7), p.794-802

2020

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CORE-MD, a path correlated molecular dynamics simulation method

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084114-084114

2020

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A polarizable coarse-grained protein model for dissipative particle dynamics

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (37), p.24452-24461

2015

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CORE-MD II: A fast, adaptive, and accurate enhanced sampling method

The Journal of chemical physics, 2021-09, Vol.155 (10), p.104114

2021

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A polarizable coarse-grained water model for dissipative particle dynamics

The Journal of chemical physics, 2014-10, Vol.141 (16), p.164506-164506

2014

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Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (18), p.1352-1365

2016

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A canonical replica exchange molecular dynamics implementation with normal pressure in each replica

The Journal of chemical physics, 2016-07, Vol.145 (4), p.044903-044903

2016

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A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides

The Journal of chemical physics, 2015-04, Vol.142 (14), p.144903-144903

2015

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How water layers on graphene affect folding and adsorption of TrpZip2

The Journal of chemical physics, 2014-12, Vol.141 (22), p.22D511-22D511

2014

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An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03035e

2017-07

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Evaluating DCA-based method performances for RNA contact prediction by a well-curated dataset

RNA (Cambridge), 2020-04

2020

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Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing Double Mutation MYBPC3 Δ 25bp/D389V

International journal of molecular sciences, 2021-11, Vol.22 (21)

2021

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Analytical Techniques in Biosciences: From Basics to Applications

1, 2021

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Early High-Dose Vitamin D 3 for Critically Ill, Vitamin D-Deficient Patients

The New England journal of medicine, 2019-12, Vol.381 (26), p.2529-2540

2019

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The science of European marine reserves: Status, efficacy, and future needs

Marine policy, 2012-09, Vol.36 (5), p.1012-1021

2012

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Simulated resilience of tropical rainforests to CO2-induced climate change

Nature geoscience, 2013-04, Vol.6 (4), p.268-273

2013

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High-throughput fingerprinting of human pluripotent stem cell fate responses and lineage bias

Nature methods, 2013-12, Vol.10 (12), p.1225-1231

2013

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Stochastic representations of model uncertainties at ECMWF: state of the art and future vision

Quarterly journal of the Royal Meteorological Society, 2017-07, Vol.143 (707), p.2315-2339

2017

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A Hybrid Hamiltonian for the Accelerated Sampling along Experimental Restraints

Enriched Conformational Sampling of DNA and Proteins with a Hybrid Hamiltonian Derived from the Protein Data Bank

An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregation

Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing Double Mutation MYBPC3Δ25bp/D389V

The inhibitory effect of a coronavirus spike protein fragment with ACE2

Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation

pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences

Evaluating DCA-based method performances for RNA contact prediction by a well-curated data set

CORE-MD, a path correlated molecular dynamics simulation method

A polarizable coarse-grained protein model for dissipative particle dynamics

CORE-MD II: A fast, adaptive, and accurate enhanced sampling method

A polarizable coarse-grained water model for dissipative particle dynamics

Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent

A canonical replica exchange molecular dynamics implementation with normal pressure in each replica

A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides

How water layers on graphene affect folding and adsorption of TrpZip2

An adaptive bias - hybrid MD/kMC algorithm for protein folding and aggregationElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp03035e

Evaluating DCA-based method performances for RNA contact prediction by a well-curated dataset

Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing Double Mutation MYBPC3 Δ 25bp/D389V

Analytical Techniques in Biosciences: From Basics to Applications

Early High-Dose Vitamin D 3 for Critically Ill, Vitamin D-Deficient Patients

The science of European marine reserves: Status, efficacy, and future needs

Simulated resilience of tropical rainforests to CO2-induced climate change

High-throughput fingerprinting of human pluripotent stem cell fate responses and lineage bias

Stochastic representations of model uncertainties at ECMWF: state of the art and future vision

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