Camila M. Clemente

MRC Laboratory of Molecular Biology — United Kingdom

Computer Science · Physical Sciences

8h-index333citations24works3.82yr avg
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Research Topics

Computational Drug Discovery Methods(8), Protein Structure and Dynamics(7), Research on Leishmaniasis Studies(5), Machine Learning in Materials Science(4), Trypanosoma species research and implications(3)

Publications24 total

Author Reply to Peer Reviews of Targeted disruption of phage liquid crystalline droplets abolishes antibiotic tolerance of bacterial biofilms
2026
Targeted disruption of phage liquid crystalline droplets abolishes antibiotic tolerance of bacterial biofilms
2025Open Access
Sodium ibuprofenate: antibacterial activities and potential β-lactamase inhibition in critical Gram-negative bacteria
Future Microbiology·2025
Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics
Journal of Chemical Theory and Computation·2025· 14 cited
Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics
2025Open Access
Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics
2024Open Access
ANI Neural Networks Meet Electrostatics: A ML/MM Implementation in Amber
2024· 4 citedOpen Access
Piperine, quercetin, and curcumin identified as promising natural products for topical treatment of cutaneous leishmaniasis
Parasitology Research·2024· 12 citedOpen Access
Unlocking Precision Docking for Metalloproteins
Journal of Chemical Information and Modeling·2024· 5 cited
Bacterial cytochrome P450s: a bioinformatics odyssey of substrate discovery
Frontiers in Microbiology·2024· 5 citedOpen Access
Docking and Bias Docking
Computer-aided drug discovery and design·2024· 2 cited
Preformulation Studies of Novel Menthol Prodrugs with Antiparasitic Activity: Chemical Stability, In Silico, and In Vitro Permeability Assays
Drugs and Drug Candidates·2023· 7 citedOpen Access
Best Practices on QM/MM Simulations of Biological Systems
Journal of Chemical Information and Modeling·2023· 62 cited
FrustraPocket: A protein–ligand binding site predictor using energetic local frustration
2022· 1 citedOpen Access
Menthol carbonates as potent antiparasitic agents: synthesis and in vitro studies along with computer-aided approaches
BMC Complementary Medicine and Therapies·2022· 10 citedOpen Access
Menthol carbonates as potent antiparasitic agents: synthesis and in vitro studies along with computer-aided approaches
Research Square (Research Square)·2022· 1 citedOpen Access
Eugenol carbonate activity against <i>Plasmodium falciparum</i>, <i>Leishmania braziliensis</i>, and <i>Trypanosoma cruzi</i>
Archiv der Pharmazie·2021· 11 cited
dockECR: Open consensus docking and ranking protocol for virtual screening of small molecules
Journal of Molecular Graphics and Modelling·2021· 26 citedOpen Access
Synthesis, In Vitro Antiprotozoal Activity and Cytotoxicity of New Thymol Carbonate Derivatives
ChemistrySelect·2021· 8 cited
An<i>in silico</i>analysis of Ibuprofen enantiomers in high concentrations of sodium chloride with SARS-CoV-2 main protease
Journal of Biomolecular Structure and Dynamics·2021· 8 citedOpen Access
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Frequent Co-authors

Soledad Ravetti(13), Marcelo A. Martí(8), Sara M. Robledo(6), Jonathan A. Semelak(4), Ignacio Pickering(4), Kate Huddleston(4), Justo Olmos(4), Juan Santiago Grassano(4), Salvador I. Drusin(4), Mariano C. González Lebrero(4), Adrián E. Roitberg(4), Darío A. Estrı́n(4), Ariel G. Garro(4), María Inés Freiberger(4), Lisandro Yamil Hergert(3), Daniel A. Allemandi(3), Tatiana Pineda(3), Dante M. Beltramo(3), Gustavo Schottlender(2), Juan Manuel Prieto(2)