Ge Yunhui

Also affiliated with Temple College, Alkermes (United States), Tri-Institutional Therapeutics Discovery Institute, Temple University

Biochemistry, Genetics and Molecular BiologyChemistry

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 4%percentile

0.859Author DataRank

Indexed papers

2in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 2 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

An overview of the SAMPL8 host–guest binding challenge

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00462-5

Top 32%

0.624DataRank

Top 32%63 citations

Jeffry Setiadi, Ge Yunhui, David L. Mobley, Martin Amezcua

Papers

Driven by 31 papers — median percentile 53. Top paper: “An overview of the SAMPL8 host–guest binding challenge”.

An overview of the SAMPL8 host–guest binding challenge

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00462-5

Top 32%

0.624DataRank

Top 32%63 citations

Jeffry Setiadi, Ge Yunhui, David L. Mobley, Martin Amezcua

An Overview of the SAMPL8 Host-Guest BindingChallenge

ChemRxiv(2022)10.26434/chemrxiv-2022-lwd0h

Top 62%

0.235DataRank

Top 62%3 citations

Jeffry Setiadi, Ge Yunhui, David L. Mobley, Martin Amezcua

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

Temperature artifacts in protein structures bias ligand-binding predictions

Chemical Science(2021)10.1039/d1sc02751d

N/A

0DataRank · unranked

49 citations

Léa El Khoury, Ge Yunhui, Meghan Osato, David L. Mobley, Marcus Fischer +1 more

Reconciling Simulations and Experiments With BICePs: A Review

Frontiers in Molecular Biosciences(2021)10.3389/fmolb.2021.661520

N/A

0DataRank · unranked

20 citations

Ge Yunhui, Robert M. Raddi, Vincent A. Voelz

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

Journal of Chemical Information and Modeling(2021)10.1021/acs.jcim.1c00029

N/A

0DataRank · unranked

15 citations

Si Zhang, Máté Erdélyi, Vincent A. Voelz, Ge Yunhui

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

Journal of Chemical Information and Modeling(2021)10.1021/acs.jcim.1c00447

N/A

0DataRank · unranked

13 citations

Justin D. Northrup, Ge Yunhui, Christian E. Schafmeister, Vincent A. Voelz, Matthew F. D. Hurley

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

ChemRxiv(2021)10.26434/chemrxiv.13567853.v1

N/A

0DataRank · unranked

2 citations

Justin D. Northrup, Ge Yunhui, Christian E. Schafmeister, Vincent A. Voelz, Matthew F. D. Hurley

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

ChemRxiv(2021)10.26434/chemrxiv.13567853

N/A

0DataRank · unranked

2 citations

Justin D. Northrup, Ge Yunhui, Christian E. Schafmeister, Vincent A. Voelz, Matthew Hurley

Estimation of Binding Rates and Affinities from Multiensemble Markov Models and Ligand Decoupling

ChemRxiv(2021)10.26434/chemrxiv.14728206

N/A

0DataRank · unranked

1 citations

Vincent A. Voelz, Ge Yunhui

Estimation of Binding Rates and Affinities from Multiensemble Markov Models and Ligand Decoupling

ChemRxiv(2021)10.26434/chemrxiv.14728206.v1

N/A

0DataRank · unranked

0 citations

Vincent A. Voelz, Ge Yunhui

Sensitivity of Molecular Dynamics Simulations to Equilibration Scheme: A Case Study of Bromodomain Protein BRD4-Ligand Complex System

(2021)10.33774/chemrxiv-2021-dgzrt

N/A

0DataRank · unranked

0 citations

Gaetano Calabrò, Christophe Bayly, David L. Mobley, Ge Yunhui

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

ChemRxiv(2021)10.26434/chemrxiv.13500765.v3

N/A

0DataRank · unranked

0 citations

Si Zhang, Máté Erdélyi, Vincent A. Voelz, Ge Yunhui

RETRACTED: Sensitivity of Molecular Dynamics Simulations to Equilibration Scheme: A Case Study of Bromodomain Protein BRD4-Ligand Complex System

ChemRxiv(2021)10.26434/chemrxiv-2021-dgzrt

N/A

0DataRank · unranked

0 citations

Gaetano Calabrò, Christophe Bayly, David L. Mobley, Ge Yunhui

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

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

ChemRxiv(2021)10.26434/chemrxiv.13500765.v2

N/A

0DataRank · unranked

0 citations

Si Zhang, Máté Erdélyi, Vincent A. Voelz, Ge Yunhui

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

Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00479-w

N/A

0DataRank · unranked

10 citations

Oliver Melling, Weiming Dong, Jonathan W. Essex, David L. Mobley, Ge Yunhui

Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling

The Journal of Chemical Physics(2022)10.1063/5.0088024

N/A

0DataRank · unranked

10 citations

Vincent A. Voelz, Ge Yunhui

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

ChemRxiv(2022)10.26434/chemrxiv-2022-1b24c

N/A

0DataRank · unranked

2 citations

Ge Yunhui, Vincent A. Voelz, Robert M. Raddi

Enhancing Sampling of Water Rehydration upon Ligand Binding using Variants of Grand Canonical Monte Carlo

ChemRxiv(2022)10.26434/chemrxiv-2022-7s8rb

N/A

0DataRank · unranked

1 citations

Oliver Melling, Weiming Dong, Jonathan W. Essex, David L. Mobley, Ge Yunhui

Absolute Binding Free Energy Calculations for Buried Water Molecules

ChemRxiv(2022)10.26434/chemrxiv-2022-mkw1d-v2

N/A

0DataRank · unranked

1 citations

Hannah M. Baumann, David L. Mobley, Ge Yunhui

Absolute Binding Free Energy Calculations for Buried Water Molecules

ChemRxiv(2022)10.26434/chemrxiv-2022-mkw1d

N/A

0DataRank · unranked

0 citations

Hannah M. Baumann, David L. Mobley, Ge Yunhui

Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.2c00823

N/A

0DataRank · unranked

35 citations

Marley L. Samways, Ge Yunhui, David L. Mobley, Jonathan W. Essex, Oliver Melling

BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.2c01296

N/A

0DataRank · unranked

10 citations

Ge Yunhui, Vincent A. Voelz, Robert M. Raddi

Model selection using replica averaging with Bayesian inference of conformational populations

ChemRxiv(2023)10.26434/chemrxiv-2023-396mm

N/A

0DataRank · unranked

4 citations

Tim Marshall, Ge Yunhui, Vincent A. Voelz, Robert M. Raddi

Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c01145

N/A

0DataRank · unranked

3 citations

Pascal T. Merz, Ge Yunhui, Christopher I. Bayly, David L. Mobley, Swapnil Wagle

Improved Estimates of Folding Stabilities and Kinetics with Multiensemble Markov Models

Biochemistry(2024)10.1021/acs.biochem.4c00573

N/A

0DataRank · unranked

2 citations

Ge Yunhui, Vincent A. Voelz, Si Zhang

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

ChemRxiv(2020)10.26434/chemrxiv.13500765.v1

N/A

0DataRank · unranked

1 citations

Si Zhang, Máté Erdélyi, Vincent A. Voelz, Ge Yunhui

Allosteric modulation of the solute carrier transporter SLC39A8 potentiates manganese and cadmium uptake

Journal of Clinical Investigation(2025)10.1172/jci191096

N/A

0DataRank · unranked

3 citations

Clara Moon, Alan D. Wickenden, Mark S. Tichenor, Ge Yunhui, Eduardo V. Mercado-Marin +9 more

Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

ChemRxiv(2020)10.26434/chemrxiv.13500765

N/A

0DataRank · unranked

0 citations

Si Zhang, Máté Erdélyi, Vincent A. Voelz, Ge Yunhui

Ge Yunhui

Indexed papers

Top data-sharing exemplar

Papers