🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Mehtap Işık

Moderna Therapeutics (United States)

ORCID: 0000-0002-6789-952X
Computer ScienceChemistryBiochemistry, Genetics and Molecular BiologyEnvironmental 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 3%percentile
1.0Author DataRank

Indexed papers

3in 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 3 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 →

Top data-sharing exemplar

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

SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00452-7
Top 22%
0.933DataRank
Top 22%26 citations

Mehtap Işık, A. Aimon, David L. Mobley, John D. Chodera, F. von Delft +2 more

Papers

Driven by 6 papers — median percentile 22. Top paper: “SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction”.

SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00452-7
Top 22%
0.933DataRank
Top 22%26 citations

Mehtap Işık, A. Aimon, David L. Mobley, John D. Chodera, F. von Delft +2 more

Automated High Throughput pKa and Distribution Coefficient Measurements of Pharmaceutical Compounds for the SAMPL8 Blind Prediction Challenge

(2021)10.33774/chemrxiv-2021-8gd90
Top 78%
0.104DataRank
Top 78%1 citations

Aakankschit Nandkeolyar, John K. Kenna, Luigi DaVia, Neysa Nevins, Mehtap Işık +3 more

Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states

Journal of Computer-Aided Molecular Design(2020)10.1007/s10822-020-00280-7
N/A
0DataRank · unranked
32 citations

Taichi Murakami, Ariën S. Rustenburg, Mehtap Işık, John D. Chodera, M. R. Gunner

Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions

Journal of Computer-Aided Molecular Design(2021)10.1007/s10822-020-00362-6
N/A
0DataRank · unranked
71 citations

Ariën S. Rustenburg, Andrea Rizzi, M. R. Gunner, David L. Mobley, John D. Chodera +1 more

Automated High Throughput pKa and Distribution Coefficient Measurements of Pharmaceutical Compounds for the SAMPL8 Blind Prediction Challenge

ChemRxiv(2021)10.26434/chemrxiv-2021-8gd90
Top 100%
0DataRank
Top 100%0 citations

Aakankschit Nandkeolyar, John K. Kenna, Luigi DaVia, Neysa Nevins, Mehtap Işık +3 more

Essential Considerations for Free Energy Calculations of RNA–Small Molecule Complexes: Lessons from the Theophylline-Binding RNA Aptamer

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01505
N/A
0DataRank · unranked
7 citations

Frank C. Pickard, Sreyoshi Sur, Alan Grossfield, Mehtap Işık, Ali Rasouli