| MM-ISMSA: an ultrafast and accurate scoring function for protein–protein docking J Klett, A Nunez-Salgado, HG Dos Santos, A Cortes-Cabrera, A Perona, ... Journal of Chemical Theory and Computation 8 (9), 3395-3408, 2012 | 66 | 2012 |
| Pneumococcal phosphoglycerate kinase interacts with plasminogen and its tissue activator M Fulde, N Bernardo-García, M Rohde, N Nachtigall, R Frank, ... Thrombosis and haemostasis 112 (03), 401-416, 2014 | 40 | 2014 |
| Semisynthetic peptide–lipase conjugates for improved biotransformations O Romero, M Filice, B De Las Rivas, C Carrasco-Lopez, J Klett, ... Chemical communications 48 (72), 9053-9055, 2012 | 36 | 2012 |
| Antibiotic capture by bacterial lipocalins uncovers an extracellular mechanism of intrinsic antibiotic resistance OM El-Halfawy, J Klett, RJ Ingram, SA Loutet, MEP Murphy, ... MBio 8 (2), 10.1128/mbio. 00225-17, 2017 | 34 | 2017 |
| Discovery of novel triazolo [4, 3-b] pyridazin-3-yl-quinoline derivatives as PIM inhibitors S Martinez-Gonzalez, S Rodriguez-Aristegui, CAG de la Oliva, ... European Journal of Medicinal Chemistry 168, 87-109, 2019 | 30 | 2019 |
| gCOMBINE: A graphical user interface to perform structure‐based comparative binding energy (COMBINE) analysis on a set of ligand‐receptor complexes R Gil‐Redondo, J Klett, F Gago, A Morreale Proteins: Structure, Function, and Bioinformatics 78 (1), 162-172, 2010 | 29 | 2010 |
| Modulation of toll-like receptor 4. Insights from x-ray crystallography and molecular modeling J Klett, J Reeves, N Oberhauser, L Perez-Regidor, S Martin-Santamaria Current Topics in Medicinal Chemistry 14 (23), 2672-2683, 2014 | 25 | 2014 |
| A structure-based design of new C2-and C13-substituted taxanes: tubulin binding affinities and extended quantitative structure–activity relationships using comparative binding … C Coderch, Y Tang, J Klett, SE Zhang, YT Ma, W Shaorong, R Matesanz, ... Organic & biomolecular chemistry 11 (18), 3046-3056, 2013 | 22 | 2013 |
| Glycolipid‐based TLR 4 Modulators and Fluorescent Probes: Rational Design, Synthesis, and Biological Properties C Ciaramelli, V Calabrese, SE Sestito, L Pérez‐Regidor, J Klett, A Oblak, ... Chemical Biology & Drug Design 88 (2), 217-229, 2016 | 21 | 2016 |
| ALFA: Automatic ligand flexibility assignment J Klett, A Cortés-Cabrera, R Gil-Redondo, F Gago, A Morreale Journal of Chemical Information and Modeling 54 (1), 314-323, 2014 | 15 | 2014 |
| Disulfide engineered lipase to enhance the catalytic activity: A structure-based approach on btl2 CA Godoy, J Klett, B Di Geronimo, JA Hermoso, JM Guisán, ... International Journal of Molecular Sciences 20 (21), 5245, 2019 | 14 | 2019 |
| CRDOCK: An Ultrafast Multipurpose Protein–Ligand Docking Tool AC Cabrera, J Klett, H G. Dos Santos, A Perona, R Gil-Redondo, ... Journal of chemical information and modeling 52 (8), 2300-2309, 2012 | 14 | 2012 |
| Comparative Binding Energy (COMBINE) Analysis Supports a Proposal for the Binding Mode of Epothilones to β‐Tubulin C Coderch, J Klett, A Morreale, JF Díaz, F Gago ChemMedChem 7 (5), 836-843, 2012 | 14 | 2012 |
| Molecular basis of the functional differences between soluble human versus murine MD-2: Role of Val135 in transfer of lipopolysaccharide from CD14 to MD-2 J Vašl, A Oblak, TT Peternelj, J Klett, S Martín-Santamaría, TL Gioannini, ... The Journal of Immunology 196 (5), 2309-2318, 2016 | 13 | 2016 |
| Characterizing conformation changes in proteins through the torsional elastic response HG Dos Santos, J Klett, R Méndez, U Bastolla Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1834 (5), 836-846, 2013 | 13 | 2013 |
| Protein kinase C ζ interacts with a novel binding region of Gαq to act as a functional effector G Sánchez-Fernández, S Cabezudo, Á Caballero, C García-Hoz, GG Tall, ... Journal of Biological Chemistry 291 (18), 9513-9525, 2016 | 12 | 2016 |
| Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity A Espaillat, C Carrasco-López, N Bernardo-García, A Rojas-Altuve, J Klett, ... Computational and Structural Biotechnology Journal 19, 1119-1126, 2021 | 7 | 2021 |
| Biological Systems Workbook: Data modelling and simulations at molecular level J Klett, C León, B Di Geronimo Universidad Carlos III de Madrid, 2021 | | 2021 |
| Screening protocol for the identification of modulators by immunofluorescent cell‐based assay J Klett, E Gómez‐Casero, M Méndez‐Pertuz, M Urbano‐Cuadrado, ... Chemical Biology & Drug Design 95 (1), 66-78, 2020 | | 2020 |
| Guzmán Sánchez-Fernández, Sofía Cabezudo1, 2, Álvaro Caballero1, 2, Carlota García-Hoz1, 2 GG Tall, J Klett, SW Michnick, F Mayor Jr, C Ribas | | 2016 |
Antonio MorrealeRepsol Química, S.A.Verified email at repsol.com
