| A nontoxic pain killer designed by modeling of pathological receptor conformations V Spahn, G Del Vecchio, D Labuz, A Rodriguez-Gaztelumendi, N Massaly, ... Science 355 (6328), 966-969, 2017 | 213 | 2017 |
| Effects of carbamazepine and two of its metabolites on the non-biting midge Chironomus riparius in a sediment full life cycle toxicity test K Heye, D Becker, CL Eversloh, V Durmaz, TA Ternes, M Oetken, ... Water research 98, 19-27, 2016 | 64 | 2016 |
| A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening C Gorgulla, KMP Das, KE Leigh, M Cespugli, PD Fischer, ZF Wang, ... Iscience 24 (2), 2021 | 60 | 2021 |
| Photochemical trans-/cis-Isomerization and Quantitation of Zearalenone in Edible Oils R Köppen, J Riedel, M Proske, S Drzymala, T Rasenko, V Durmaz, ... Journal of agricultural and food chemistry 60 (47), 11733-11740, 2012 | 36 | 2012 |
| Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B. 1.1. 529 spike RBD compared to wild type reference V Durmaz, K Köchl, A Krassnigg, L Parigger, M Hetmann, A Singh, D Nutz, ... Scientific reports 12 (1), 14534, 2022 | 18 | 2022 |
| Peptide–polymer ligands for a tandem WW-domain, an adaptive multivalent protein–protein interaction: lessons on the thermodynamic fitness of flexible ligands K Koschek, V Durmaz, O Krylova, M Wieczorek, S Gupta, M Richter, ... Beilstein journal of organic chemistry 11 (1), 837-847, 2015 | 16 | 2015 |
| Hands-off linear interaction energy approach to binding mode and affinity estimation of estrogens V Durmaz, S Schmidt, P Sabri, C Piechotta, M Weber Journal of chemical information and modeling 53 (10), 2681-2688, 2013 | 14 | 2013 |
| Classical hybrid Monte-Carlo simulation of the interconversion of hexabromocyclododecane stereoisomers M Weber, R Becker, V Durmaz, R Köppen Molecular simulation 34 (7), 727-736, 2008 | 14 | 2008 |
| Investigation of the ergopeptide epimerization process K Andrae, S Merkel, V Durmaz, K Fackeldey, R Köppen, M Weber, ... Computation 2 (3), 102-111, 2014 | 13 | 2014 |
| Predictive identification of pentabromocyclododecene (PBCD) isomers with high binding affinity to hTTR M Weber, V Durmaz, R Becker, S Esslinger Dioxin 2009-29th International symposium on halogenated persistent organic …, 2009 | 9 | 2009 |
| Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations K Köchl, T Schopper, V Durmaz, L Parigger, A Singh, A Krassnigg, ... Scientific Reports 13 (1), 774, 2023 | 6 | 2023 |
| A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening. iScience 2021, 24 (2), 102021 C Gorgulla, KM Padmanabha Das, KE Leigh, M Cespugli, PD Fischer, ... DOI, 2020 | 6 | 2020 |
| A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening. iScience 2021, 24, 102021 C Gorgulla, KM Padmanabha Das, KE Leigh, M Cespugli, PD Fischer, ... DOI, 2020 | 6 | 2020 |
| How to simulate affinities for host–guest systems lacking binding mode information: application to the liquid chromatographic separation of hexabromocyclododecane stereoisomers V Durmaz, M Weber, R Becker Journal of molecular modeling 18 (6), 2399-2408, 2012 | 6 | 2012 |
| Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX M Hetmann, C Langner, V Durmaz, M Cespugli, K Köchl, A Krassnigg, ... Scientific Reports 13 (1), 11783, 2023 | 5 | 2023 |
| Medicine from the computer K Andrae, V Durmaz, K Fackeldey, O Scharkoi, M Weber Der Anaesthesist 62, 557-561, 2013 | 3 | 2013 |
| A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics 43 (1), e202300262, 2024 | 2 | 2024 |
| Atomistic Binding Free Energy Estimations for Biological Host–Guest Systems V Durmaz | 2 | 2016 |
| Markov model-based polymer assembly from force field-parameterized building blocks V Durmaz Journal of computer-aided molecular design 29, 225-232, 2015 | 2 | 2015 |
| Computergestützte Simulationen zur Abschätzung gesundheitlicher Risiken durch anthropogene Spurenstoffe der Wassermatrix V Durmaz, M Weber KA Korrespondenz Abwasser, Abfall 3, 264-267, 2015 | 2 | 2015 |
