Andreas Krämer

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyEngineeringMaterials Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 13 papers. Top paper: “Membrane permeability of small molecules from unbiased molecular dynamics simulations”.

Membrane permeability of small molecules from unbiased molecular dynamics simulations

The Journal of Chemical Physics(2020)10.1063/5.0013429

N/A

0DataRank · unranked

71 citations

An Ghysels, Eric Wang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks +2 more

Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water–octanol partition coefficients in the SAMPL6 challenge

Journal of Computer-Aided Molecular Design(2020)10.1007/s10822-020-00285-2

N/A

0DataRank · unranked

9 citations

Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks, Andreas Krämer

Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers

The Journal of Chemical Physics(2020)10.1063/5.0013430

N/A

0DataRank · unranked

33 citations

Eric Wang, Andreas Krämer, Jeffery B. Klauda, Mahdi Ghorbani

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434

N/A

0DataRank · unranked

10 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

ChemRxiv(2020)10.26434/chemrxiv.13480437.v1

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Rick Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434.v1

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

ChemRxiv(2020)10.26434/chemrxiv.13480437

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Rick Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

Inferring causal molecular networks: empirical assessment through a community-based effort

UNC Libraries(2020)10.17615/j5nb-5n89

N/A

0DataRank · unranked

0 citations

Steven M. Hill, Daoud Meerzaman, Venkateshan Kannan, Bahman Afsari, Takeshi Hase +95 more

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01327

N/A

0DataRank · unranked

118 citations

Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01326

N/A

0DataRank · unranked

78 citations

Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B. Klauda +3 more

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

The Journal of Physical Chemistry B(2023)10.1021/acs.jpcb.3c06662

N/A

0DataRank · unranked

495 citations

Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio +20 more

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

arXiv (Cornell University)(2023)10.48550/arxiv.2310.03121

N/A

0DataRank · unranked

20 citations

Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio +20 more

Neural Integral Operators for Inverse Problems: An Operator-Learning Framework for Small-Sample Spectroscopic Classification

ArXiv.org(2025)10.48550/arxiv.2505.03677

N/A

0DataRank · unranked

0 citations

Alice Giola, Andreas Krämer, Enrico Greco, Emanuele Zappala