David F. Hahn

Biochemistry, Genetics and Molecular BiologyComputer ScienceMaterials ScienceChemistry

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 17 papers. Top paper: “Benchmark assessment of molecular geometries and energies from small molecule force fields”.

Benchmark assessment of molecular geometries and energies from small molecule force fields

F1000Research(2020)10.12688/f1000research.27141.1

N/A

0.598DataRank · unranked

53 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.1c00513

N/A

0.464DataRank · unranked

21 citations

David F. Hahn, Michael R. Shirts, Vincent A. Voelz, Si Zhang

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2022)10.26434/chemrxiv-2022-n2z1c

N/A

0.345DataRank · unranked

9 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

ChemRxiv(2020)10.26434/chemrxiv.12551867.v2

N/A

0.292DataRank · unranked

6 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

Expanded Ensemble Methods Can Be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies

ChemRxiv(2021)10.26434/chemrxiv.14665662.v1

N/A

0DataRank · unranked

5 citations

David F. Hahn, Michael R. Shirts, Vincent A. Voelz, Si Zhang

A Benchmark of Electrostatic Methods Performance in Relative Binding Free Energy Calculations

ChemRxiv(2021)10.26434/chemrxiv.13353410.v2

N/A

0DataRank · unranked

0 citations

David F. Hahn, David L. Mobley, Ge Yunhui

Expanded Ensemble Methods Can Be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies

ChemRxiv(2021)10.26434/chemrxiv.14665662

N/A

0DataRank · unranked

0 citations

David F. Hahn, Michael R. Shirts, Vincent A. Voelz, Si Zhang

Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

ChemMedChem(2022)10.1002/cmdc.202200425

N/A

0DataRank · unranked

43 citations

Ge Yunhui, Joseph P. Bluck, Hans Briem, David F. Hahn, Clara D. Christ +4 more

Collaborative assessment of molecular geometries and energies from the Open Force Field

ChemRxiv(2022)10.26434/chemrxiv-2022-hq0vq

N/A

0DataRank · unranked

4 citations

David F. Hahn, David Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig +14 more

To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough

ChemRxiv(2022)10.26434/chemrxiv-2022-fldz0

N/A

0DataRank · unranked

0 citations

David F. Hahn, Gary Tresadern, David L. Mobley, Mary Pitman

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00039

N/A

0DataRank · unranked

193 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.2c01579

N/A

0DataRank · unranked

16 citations

David F. Hahn, Gary Tresadern, David L. Mobley, Mary Pitman

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2023)10.26434/chemrxiv-2022-n2z1c-v2

N/A

0DataRank · unranked

21 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Broadening the scope of binding free energy calculations using a Separated Topologies approach

ChemRxiv(2023)10.26434/chemrxiv-2023-9678k

N/A

0DataRank · unranked

3 citations

Eric Dybeck, Christopher L. McClendon, Frank C. Pickard, Vytautas Gapsys, Laura Pérez‐Benito +5 more

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

ChemRxiv(2020)10.26434/chemrxiv.12551867

N/A

0DataRank · unranked

1 citations

David F. Hahn, Gary Tresadern, Christopher I. Bayly, David L. Mobley, Victoria T. Lim

A Benchmark of Electrostatic Methods Performance in Relative Binding Free Energy Calculations

ChemRxiv(2020)10.26434/chemrxiv.13353410

N/A

0DataRank · unranked

0 citations

David F. Hahn, David L. Mobley, Yunhui Ge

A Benchmark of Electrostatic Methods Performance in Relative Binding Free Energy Calculations

ChemRxiv(2020)10.26434/chemrxiv.13353410.v1

N/A

0DataRank · unranked

0 citations

David F. Hahn, David L. Mobley, Ge Yunhui