Ànna Pavlova

Biochemistry, Genetics and Molecular BiologyEnvironmental ScienceMedicineComputer 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 10 papers. Top paper: “Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease”.

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Chemical Science(2020)10.1039/d0sc04942e

N/A

0DataRank · unranked

59 citations

Diane L. Lynch, Isabella Daidone, Laura Zanetti‐Polzi, Micholas Dean Smith, Chris Chipot +14 more

Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison

The Journal of Chemical Physics(2020)10.1063/5.0022802

N/A

0DataRank · unranked

19 citations

Ànna Pavlova, Emad Tajkhorshid, James C. Gumbart, Yui Tik Pang

Synergistic Biophysical Techniques Reveal Structural Mechanisms of Engineered Cationic Antimicrobial Peptides in Lipid Model Membranes

Chemistry - A European Journal(2020)10.1002/chem.202000212

N/A

0DataRank · unranked

19 citations

Aria Salyapongse, Akari Kumagai, Fernando G. Dupuy, Karpur Shukla, Anja Penk +8 more

Accurate determination of protein:ligand standard binding free energies from molecular dynamics simulations

Nature Protocols(2022)10.1038/s41596-021-00676-1

N/A

0DataRank · unranked

176 citations

Haochuan Chen, Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Florence Szczepaniak, Ànna Pavlova +7 more

Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation

The Journal of Physical Chemistry B(2022)10.1021/acs.jpcb.2c03193

N/A

0DataRank · unranked

32 citations

Ànna Pavlova, Tyler Cline, Aria Salyapongse, Richard E. Gillilan, Y. Peter Di +5 more

Restoring and Enhancing the Potency of Existing Antibiotics against Drug-Resistant Gram-Negative Bacteria through the Development of Potent Small-Molecule Adjuvants

ACS Infectious Diseases(2022)10.1021/acsinfecdis.2c00121

N/A

0DataRank · unranked

23 citations

Manjusha Roy Choudhury, Xiaoxiao Yang, Stéphane L. Benoit, Edroyal Womack, Kristin V. Lyles +12 more

Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor

Physical Chemistry Chemical Physics(2022)10.1039/d1cp05487b

N/A

0DataRank · unranked

4 citations

Oksana Gerlits, Luke L. Daemen, Ànna Pavlova, James C. Gumbart, Yongqiang Cheng +2 more

Broadening access to small-molecule parameterization with the force field toolkit

The Journal of Chemical Physics(2024)10.1063/5.0196848

N/A

0DataRank · unranked

4 citations

Ànna Pavlova, P. Nelson, Zachary L. Glick, Lan Yang, Yui Tik Pang +6 more

Machine Learning of Molecular Dynamics Simulations Provides Insights into the Modulation of Viral Capsid Assembly

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00274

N/A

0DataRank · unranked

8 citations

Zixing Fan, Diane L. Lynch, James C. Gumbart, Ànna Pavlova

Machine learning of molecular dynamics simulations provides insights into modulation of viral capsid assembly

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.02.07.637202

N/A

0DataRank · unranked

0 citations

Zixing Fan, Diane L. Lynch, James C. Gumbart, Ànna Pavlova