| Combating virulence of Gram-negative bacilli by OmpA inhibition X Vila-Farrés, R Parra-Millán, V Sánchez-Encinales, M Varese, ... Scientific reports 7 (1), 14683, 2017 | 78 | 2017 |
| Challenges of docking in large, flexible and promiscuous binding sites M Kotev, R Soliva, M Orozco Bioorganic & Medicinal Chemistry 24 (20), 4961-4969, 2016 | 23 | 2016 |
| Active‐Site‐Directed Inhibitors of Prolyl Oligopeptidase Abolish Its Conformational Dynamics A López, F Herranz‐Trillo, M Kotev, M Gairí, V Guallar, P Bernadó, ... ChemBioChem 17 (10), 913-917, 2016 | 22 | 2016 |
| Unveiling prolyl oligopeptidase ligand migration by comprehensive computational techniques M Kotev, D Lecina, T Tarragó, E Giralt, V Guallar Biophysical Journal 108 (1), 116-125, 2015 | 21 | 2015 |
| Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case M Kotev, R Pascual, C Almansa, V Guallar, R Soliva Journal of Chemical Information and Modeling 58 (8), 1707-1715, 2018 | 18 | 2018 |
| User-friendly quantum mechanics: applications for drug discovery M Kotev, L Sarrat, CD Gonzalez Quantum Mechanics in Drug Discovery, 231-255, 2020 | 14 | 2020 |
| The bidentate complexes of (R, R)-and meso-α, α′-bis (trifluoromethyl)-9, 10-anthracenedimethanol with cis-1-amino-2-indanol C Estivill, M Pomares, M Kotev, P Ivanov, A Virgili Tetrahedron: Asymmetry 16 (18), 2993-2997, 2005 | 13 | 2005 |
| Inhibition of human enhancer of zeste homolog 2 with tambjamine analogs M Kotev, P Manuel-Manresa, E Hernando, V Soto-Cerrato, M Orozco, ... Journal of Chemical Information and Modeling 57 (8), 2089-2098, 2017 | 8 | 2017 |
| Combating virulence of Gram-negative bacilli by OmpA inhibition. Sci Rep 7: 14683 X Vila-Farrés, R Parra-Millán, V Sánchez-Encinales, M Varese, ... | 8 | 2017 |
| Combined use of oligopeptides, fragment libraries, and natural compounds: a comprehensive approach to sample the druggability of vascular endothelial growth factor N Bayó‐Puxan, R Rodríguez‐Mias, M Goldflam, M Kotev, S Ciudad, ... ChemMedChem 11 (8), 928-939, 2016 | 8 | 2016 |
| Bactericidal disruption of magnesium metallostasis in Mycobacterium tuberculosis is counteracted by mutations in the metal ion transporter CorA L Lopez Quezada, S Silve, M Kelinske, A Liba, C Diaz Gonzalez, M Kotev, ... MBio 10 (4), 10.1128/mbio. 01405-19, 2019 | 7 | 2019 |
| Bactericidal disruption of magnesium metallostasis in mycobacterium tuberculosis is counteracted by mutations in the metal ion transporter cora LL Quezada, S Silve, M Kelinske, A Liba, CD Gonzalez, M Kotev, ... MBio 10 (4), 2019 | 7 | 2019 |
| Fine tuning for success in structure-based virtual screening E Pihan, M Kotev, O Rabal, C Beato, C Diaz Gonzalez Journal of Computer-Aided Molecular Design 35, 1195-1206, 2021 | 6 | 2021 |
| Molecular mechanics (MM3 (π)) conformational analysis of molecules containing conjugated π‐electron fragments: Leucomycin‐V MI Kotev, PM Ivanov Chirality: The Pharmacological, Biological, and Chemical Consequences of …, 2008 | 5 | 2008 |
| Molecular Dynamics and Other HPC Simulations for Drug Discovery M Kotev, C Diaz Gonzalez High Performance Computing for Drug Discovery and Biomedicine, 265-291, 2023 | 3 | 2023 |
| Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside MI Kotev, H Goto, PM Ivanov Journal of molecular structure 748 (1-3), 9-16, 2005 | 3 | 2005 |
| Molecular mechanics (MM3 (π)) conformational analysis of molecules containing conjugated π-electron fragments: a molecular tweezer MI Kotev, PM Ivanov Bulgarian Chemical Communications 40, 505-511, 2008 | 1 | 2008 |
| Computational (MM, MD and MDMM) study of bidentate complexes of (R, R)-and meso-α, α′-bis (trifluoromethyl)-9, 10-anthracenedimethanol with cis-1-amino-2-indanol MI Kotev, PM Ivanov, A Virgili, C Estivill Journal of molecular structure 828 (1-3), 59-67, 2007 | 1 | 2007 |
| Identification of the atypical antipsychotic Asenapine as a direct survivin inhibitor with anticancer properties and sensitizing effects to conventional therapies C Benítez-García, D Martínez-García, M Kotev, M Pérez-Hernández, ... Biomedicine & Pharmacotherapy 182, 117756, 2025 | | 2025 |
| Active site-directed inhibitors of prolyl oligopeptidase abolishes its conformational dynamics A López Asamar, F Herranz-Trillo, M Kotev, M Gairí Tahull, V Guallar, ... Wiley-VCH, 0 | | |
