| Molecular dynamics-driven drug discovery: Leaping forward with confidence A Ganesan, ML Coote, K Barakat Drug Discovery Today, 2016 | 309 | 2016 |
| Differentiation of ferrocene D5d and D5h conformers using IR spectroscopy N Mohammadi, A Ganesan, CT Chantler, F Wang Journal of Organometallic Chemistry 713, 51-59, 2012 | 136 | 2012 |
| Comprehensive in vitro characterization of PD-L1 small molecule inhibitors A Ganesan, M Ahmed, I Okoye, E Arutyunova, D Babu, WL Turnbull, ... Scientific Reports 9 (1), 2045-2322, 2019 | 114 | 2019 |
| Simple Design of an Enzyme-Inspired Supported Catalyst Based on a Catalytic Triad MD Nothling, A Ganesan, K Condic-Jurkic, E Pressly, A Davalos, ... Chem 2 (5), 732–745, 2017 | 58 | 2017 |
| Applications of computer-aided approaches in the development of hepatitis C antiviral agents A Ganesan, K Barakat Expert opinion on drug discovery 12 (4), 407-425, 2017 | 49 | 2017 |
| Targeting B7‐1 in immunotherapy R Chen, A Ganesan, I Okoye, E Arutyunova, S Elahi, MJ Lemieux, ... Medicinal Research Reviews 40 (2), 654-682, 2020 | 48 | 2020 |
| Revealing the atomistic details behind the binding of B7–1 to CD28 and CTLA-4: A comprehensive protein-protein modelling study A Ganesan, TC Moon, K Barakat Biochimica et Biophysica Acta (BBA) - General Subjects, In Press, 2018 | 37 | 2018 |
| Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 Main Protease complexes reveal the role of lateral pocket in enhancing the ligand affinity YL Weng, SR Naik, N Dingelstad, MR Lugo, S Kalyaanamoorthy, ... Scientific reports 11 (1), 1-22, 2021 | 36 | 2021 |
| Modeling the human Nav1.5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade M Ahmed, JH Hasani, M Ganesan, Aravindhan, Houghton, K Barakat Drug Design, Development and Therapy 11, 2301—2324, 2017 | 33 | 2017 |
| A study of aliphatic amino acids using simulated vibrational circular dichroism and Raman optical activity spectra A Ganesan, MJ Brunger, F Wang The European Physical Journal D 67 (229), 1-12, 2013 | 31 | 2013 |
| Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift A Ganesan, F Wang The Journal of chemical physics 131 (4), 07B621, 2009 | 31 | 2009 |
| hnRNP A/B Proteins: An Encyclopedic Assessment of Their Roles in Homeostasis and Disease PA Thibault, A Ganesan, S Kalyaanamoorthy, JPWE Clarke, HE Salapa, ... Biology 10 (8), 712, 2021 | 25 | 2021 |
| Intramolecular interactions of L‐phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules A Ganesan, F Wang, C Falzon Journal of computational chemistry 32 (3), 525-535, 2011 | 25 | 2011 |
| Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel H Jalily Hasani, A Ganesan, M Ahmed, KH Barakat PloS one 13 (2), e0191905, 2018 | 21 | 2018 |
| Photoelectron Spectra of Some Antibiotic Building Blocks: 2-Azetidinone and Thiazolidine-Carboxylic Acid M Ahmed, A Ganesan, F Wang, V Feyer, O Plekan, KC Prince The Journal of Physical Chemistry A 116 (33), 8653-8660, 2012 | 18 | 2012 |
| Antibodies to Cryptic Epitopes in Distant Homologues Underpin a Mechanism of Heterologous Immunity between Plasmodium vivax PvDBP and Plasmodium falciparum VAR2CSA CJ Mitran, A Mena, S Gnidehou, S Banman, E Arango, BAS Lima, H Lugo, ... mBio 10 (5), e02343-19, 2019 | 17 | 2019 |
| Effects of alkyl side chains on properties of aliphatic amino acids probed using quantum chemical calculations A Ganesan, F Wang, M Brunger, K Prince Journal of synchrotron radiation 18 (5), 733-742, 2011 | 17 | 2011 |
| Atomistic modeling and molecular dynamics analysis of human CaV1. 2 channel using external electric field and ion pulling simulations T Feng, S Kalyaanamoorthy, A Ganesan, K Barakat Biochimica et Biophysica Acta (BBA)-General Subjects 1863 (6), 1116-1126, 2019 | 16 | 2019 |
| Solubility: A Speed-Breaker on the Drug Discovery Highway A Ganesan, K Barakat MOJ Bioequivalence & Bioavailability 3 (3), 00033, 2017 | 16 | 2017 |
| Density functional study of Cu2+-phenylalanine complex under micro-solvation environment A Ganesan, J Dreyer, F Wang, J Akola, J Larrucea Journal of Molecular Graphics and Modelling 45, 180-191, 2013 | 16 | 2013 |
Julen Larrucea.Fraunhofer IFAM, Bremen, GermanyVerified email at larrucea.eu
