Quantitative estimation of pesticide-likeness for agrochemical discovery S Avram, S Funar-Timofei, A Borota, SR Chennamaneni, AK Manchala, ... Journal of cheminformatics 6, 1-11, 2014 | 80 | 2014 |
Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants S Funar-Timofei, A Borota, L Crisan Molecular diversity 21 (2), 437-454, 2017 | 36 | 2017 |
New efficient adsorbent materials for the removal of Cd (II) from aqueous solutions A Visa, B Maranescu, L Lupa, L Crisan, A Borota Nanomaterials 10 (5), 899, 2020 | 28 | 2020 |
Diarylthiazole and diarylimidazole selective COX-1 inhibitor analysis through pharmacophore modeling, virtual screening, and DFT-based approaches L Crisan, A Borota, A Bora, L Pacureanu Structural Chemistry 30, 2311-2326, 2019 | 21 | 2019 |
DrugCentral 2023 extends human clinical data and integrates veterinary drugs S Avram, TB Wilson, R Curpan, L Halip, A Borota, A Bora, CG Bologa, ... Nucleic acids research 51 (D1), D1276-D1287, 2023 | 20 | 2023 |
Combined experimental and theoretical insights into the corrosion inhibition activity on carbon steel iron of phosphonic acids A Visa, N Plesu, B Maranescu, G Ilia, A Borota, L Crisan Molecules 26 (1), 135, 2020 | 13 | 2020 |
A QSAR study using MTD method and Dragon descriptors for a series of selective ligands of α2C adrenoceptor A Borota, M Mracec, A Gruia, R Rad-Curpăn, L Ostopovici-Halip, ... European journal of medicinal chemistry 46 (3), 877-884, 2011 | 12 | 2011 |
3D homology model of the human prostaglandin E2 receptor EP4 subtype D Margan, A Borota, M Mracec, M Mracec Rev Roum Chim 57 (1), 39-44, 2012 | 11 | 2012 |
Exploring the binding site of the human muscarinic M3 Receptor: homology modeling and docking study L Ostopovici, M Mracec, M Mracec, A Borota International Journal of Quantum Chemistry 107 (8), 1794-1802, 2007 | 11 | 2007 |
Modeling of 2-pyridin-3-yl-benzo [d][1, 3] oxazin-4-one derivatives by several conformational searching tools and molecular docking M Goodarzi, A Bora, A Borota, S Funar-Timofei, S Avram, ... Current pharmaceutical design 19 (12), 2194-2203, 2013 | 7 | 2013 |
3D Homology model of the α2b-adrenergic receptor subtype L Ostopovici-Halip, A Borota, A Gruia, M Mracec, R Rad-Curpan, ... Rev. Roum. Chim 55 (5), 343-348, 2010 | 7 | 2010 |
3D homology model of the α2C-adrenergic receptor subtype L Halip, AT Gruia, A Borota, M Mracec, RF Curpan, M Mracec Rev. Roum. Chim 57 (7-8), 763-768, 2012 | 5 | 2012 |
Annotating off-label drug usage from unconventional sources S Avram, L Halip, R Curpan, A Borota, A Bora, TI Oprea medRxiv, 2022.09. 08.22279709, 2022 | 4 | 2022 |
Modeling of dexmedetomidine conformers and their interactions with alpha2 adrenergic receptor subtypes RF Curpăn, L Halip, A Borota, M Mracec, M Mracec Structural chemistry 27, 871-881, 2016 | 4 | 2016 |
CONFORMATIONAL ANALYSIS FOR PROSTAGLANDIN E2. I. D Margan, G Ilia, A Borota, M Mracec Rev. Roum. Chim 57 (2), 121-129, 2012 | 4 | 2012 |
Homology Modeling and Molecular Docking Approaches for the Proposal of Novel Insecticides against the African Malaria Mosquito (Anopheles gambiae) L Crisan, S Funar-Timofei, A Borota Molecules 27 (12), 3846, 2022 | 3 | 2022 |
Structure- and ligand- based studies to gain insight into the pharmacological implications of histamine H3 receptor A Borota, L Halip, R Curpan, A Bora, S Avram, M Mracec, M Mracec Structural Chemistry 32, 1141-1149, 2021 | 3 | 2021 |
An Approach to Identify New Insecticides Against Myzus Persicae. In silico Study Based on Linear and Non‐linear Regression Techniques L Crisan, A Borota, T Suzuki, S Funar‐Timofei Molecular Informatics 38 (8-9), 1800119, 2019 | 3 | 2019 |
QSAR analysis of a series of non-imidazolic derivatives acting on the histamine H3 receptor M Mracec, A Borota, R Rad, L Ostopovici, M Mracec Revue Roumaine de Chimie 52 (8-9), 829-835, 2007 | 3 | 2007 |
Chemometric Modeling of Algal and Daphnia Toxicity L Crisan, A Borota, A Bora, S Funar‐Timofei, G Ilia Chemometrics and Cheminformatics in Aquatic Toxicology, 243-274, 2021 | 2 | 2021 |