Emilio Gallicchio

Biochemistry, Genetics and Molecular BiologyComputer SciencePhysics and AstronomyMaterials 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 17 papers. Top paper: “3,7-Dihydroxytropolones Inhibit Initiation of Hepatitis B Virus Minus-Strand DNA Synthesis”.

3,7-Dihydroxytropolones Inhibit Initiation of Hepatitis B Virus Minus-Strand DNA Synthesis

Molecules(2020)10.3390/molecules25194434

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0DataRank · unranked

10 citations

Jennifer T. Miller, Andrea Noronha, John E. Tavis, Emilio Gallicchio, Ryan P. Murelli +2 more

Amide-containing α-hydroxytropolones as inhibitors of hepatitis B virus replication

Antiviral Research(2020)10.1016/j.antiviral.2020.104777

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0DataRank · unranked

29 citations

Elena Lomonosova, Maureen J. Donlin, Feng Cao, Austin T. O’Dea, Brienna Milleson +13 more

Exploring the Free-Energy Landscape and Thermodynamics of Protein-Protein Association

Biophysical Journal(2020)10.1016/j.bpj.2020.08.005

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0DataRank · unranked

28 citations

Lauren Wickstrom, Mamuka Kvaratskhelia, Emilio Gallicchio, Ronald M. Levy, Nanjie Deng +1 more

Exploring the Free Energy Landscape and Thermodynamics of Protein-Protein Association: HIV-1 Integrase Multimerization Induced by an Allosteric Inhibitor

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.29.177592

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0DataRank · unranked

1 citations

Lauren Wickstrom, Mamuka Kvaratskhelia, Emilio Gallicchio, Ronald M. Levy, Nan Deng +1 more

New tetrahydroisoquinoline-based D3R ligands with an o-xylenyl linker motif

Bioorganic & Medicinal Chemistry Letters(2021)10.1016/j.bmcl.2021.128047

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0DataRank · unranked

3 citations

Namballa Hari Krishna, Bryant Muniz, Rajat Kumar Pal, Emilio Gallicchio, Wayne W. Harding +1 more

Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-021-00437-y

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0DataRank · unranked

14 citations

Joe Z. Wu, Sheenam Khuttan, Tom Kurtzman, Nanjie Deng, Emilio Gallicchio +1 more

Developing end-point methods for absolute binding free energy calculation using the Boltzmann-quasiharmonic model

Physical Chemistry Chemical Physics(2022)10.1039/d1cp05075c

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0DataRank · unranked

7 citations

Emilio Gallicchio, Lieyang Chen, Tom Kurtzman, Nanjie Deng, Lauren Wickstrom

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

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

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0DataRank · unranked

495 citations

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

Taming multiple binding poses in alchemical binding free energy prediction: the β-cyclodextrin host–guest SAMPL9 blinded challenge

Physical Chemistry Chemical Physics(2023)10.1039/d3cp02125d

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0DataRank · unranked

17 citations

Solmaz Azimi, Joe Z. Wu, Sebastian Dick, Chuanjie Wu, Huafeng Xu +2 more

Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series

Journal of Chemical Information and Modeling(2023)10.1021/acs.jcim.3c00178

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0DataRank · unranked

15 citations

Adrià Pérez, Maciej Majewski, Emilio Gallicchio, Gianni De Fabritiis, Francesc Sabanés Zariquiey

Studies on the Configurational Stability of Tropolone-Ketone-, Ester-, and Aldehyde-Based Chiral Axes

The Journal of Organic Chemistry(2023)10.1021/acs.joc.3c02286

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0DataRank · unranked

2 citations

Nana B. Agyemang, Theresa Trelles, Emilio Gallicchio, Ryan P. Murelli, John-Charles Baucom

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

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

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0DataRank · unranked

20 citations

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

Enhancing Protein–Ligand Binding Affinity Predictions Using Neural Network Potentials

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.3c02031

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0DataRank · unranked

52 citations

Raimondas Galvelis, Emilio Gallicchio, John D. Chodera, Thomas E. Markland, Gianni De Fabritiis +1 more

Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations

arXiv (Cornell University)(2024)10.48550/arxiv.2402.06887

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0DataRank · unranked

1 citations

Emilio Gallicchio, Solmaz Azimi

Potential Distribution Theory of Alchemical Transfer

arXiv (Cornell University)(2024)10.48550/arxiv.2407.14713

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0DataRank · unranked

0 citations

Emilio Gallicchio, Solmaz Azimi

Deconstruction of Desacetamidocolchicine’s B Ring Reveals a Class 3 Atropisomeric AC Ring with Tubulin Binding Properties

The Journal of Organic Chemistry(2025)10.1021/acs.joc.5c00284

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0DataRank · unranked

4 citations

Orugbani S. Eli, Diana M. Kapkayeva, Jordan Nafie, John A. Beutler, Emilio Gallicchio +3 more

Potential distribution theory of alchemical transfer

The Journal of Chemical Physics(2025)10.1063/5.0244918

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0DataRank · unranked

1 citations

Emilio Gallicchio, Solmaz Azimi