| KnowVolution of a fungal laccase toward alkaline pH C Novoa, GV Dhoke, DM Mate, R Martínez, T Haarmann, M Schreiter, ... ChemBioChem 20 (11), 1458-1466, 2019 | 43 | 2019 |
| QM/MM Calculations Revealing the Resting and Catalytic States in Zinc-Dependent Medium-Chain Dehydrogenases/Reductases GV Dhoke, MD Davari, U Schwaneberg, M Bocola ACS Catalysis 5, 3207–3215, 2015 | 40 | 2015 |
| How to engineer ionic liquids resistant enzymes: Insights from combined molecular dynamics and directed evolution study S Pramanik, GV Dhoke, KE Jaeger, U Schwaneberg, MD Davari ACS Sustainable Chemistry & Engineering 7 (13), 11293-11302, 2019 | 37 | 2019 |
| A combined ligand and structure based approach to design potent PPAR-alpha agonists GV Dhoke, RP Gangwal, AT Sangamwar Journal of Molecular Structure 1028, 22-30, 2012 | 29 | 2012 |
| p38 Mitogen-activated protein kinase inhibitors: a review on pharmacophore mapping and QSAR studies RP Gangwal, A Bhadauriya, MV Damre, GV Dhoke, AT Sangamwar Current topics in medicinal chemistry 13 (9), 1015-1035, 2013 | 28 | 2013 |
| A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies VV Nazarenko, A Remeeva, A Yudenko, K Kovalev, A Dubenko, ... Photochemical & photobiological sciences 18, 1793-1805, 2019 | 22 | 2019 |
| Mechanistic and structural insight into promiscuity based metabolism of cardiac drug digoxin by gut microbial enzyme K Kumar, SK Jaiswal, GV Dhoke, GN Srivastava, AK Sharma, VK Sharma Journal of Cellular Biochemistry 119 (7), 5287-5296, 2018 | 22 | 2018 |
| Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment GV Dhoke, C Loderer, MD Davari, M Ansorge-Schumacher, ... Journal of computer-aided molecular design 29, 1057-1069, 2015 | 22 | 2015 |
| Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screening RP Gangwal, NR Das, K Thanki, MV Damre, GV Dhoke, SS Sharma, ... Journal of Molecular Graphics and Modelling 49, 18-24, 2014 | 22 | 2014 |
| Identification of dual Acetyl-CoA carboxylases 1 and 2 inhibitors by pharmacophore based virtual screening and molecular docking approach. A Bhadauriya, GV Dhoke, RP Gangwal, MV Damre, AT Sangamwar Molecular diversity, 2013 | 22 | 2013 |
| Chiral separation of d/l-arginine with whole cells through an engineered fhua nanochannel D Anand, GV Dhoke, J Gehrmann, TM Garakani, MD Davari, M Bocola, ... Chemical Communications 55 (38), 5431-5434, 2019 | 18 | 2019 |
| A hydroquinone-specific screening system for directed P450 evolution AM Weingartner, DF Sauer, GV Dhoke, MD Davari, AJ Ruff, ... Applied microbiology and biotechnology 102, 9657-9667, 2018 | 18 | 2018 |
| Structure based virtual screening to identify selective phosphodiesterase 4B inhibitors RP Gangwal, MV Damre, NR Das, GV Dhoke, A Bhadauriya, RA Varikoti, ... Journal of Molecular Graphics and Modelling 57, 89-98, 2015 | 17 | 2015 |
| 3D-QSAR and molecular docking analysis of (4-piperidinyl)-piperazines as acetyl-CoA carboxylases inhibitors U Singh, RP Gangwal, GV Dhoke, R Prajapati, M Damre, AT Sangamwar Arabian Journal of Chemistry 10, S617-S626, 2017 | 16 | 2017 |
| Investigation of Structural Determinants for the Substrate Specificity in the Zinc‐Dependent Alcohol Dehydrogenase CPCR2 from Candida parapsilosis C Loderer, GV Dhoke, MD Davari, W Kroutil, U Schwaneberg, M Bocola, ... ChemBioChem 16 (10), 1512-1519, 2015 | 16 | 2015 |
| 3D QSAR pharmacophore-based virtual screening and molecular docking studies to identify novel matrix metalloproteinase 12 inhibitors U Singh, RP Gangwal, R Prajapati, GV Dhoke, AT Sangamwar Molecular Simulation 39 (5), 385-396, 2013 | 16 | 2013 |
| Computationally designed antibody–drug conjugates self-assembled via affinity ligands N Gupta, A Ansari, GV Dhoke, M Chilamari, J Sivaccumar, S Kumari, ... Nature Biomedical Engineering 3 (11), 917-929, 2019 | 15 | 2019 |
| One‐Pot Two‐Step Chemoenzymatic Cascade for the Synthesis of a Bis‐benzofuran Derivative MAS Mertens, F Thomas, M Nöth, J Moegling, I El‐Awaad, DF Sauer, ... European Journal of Organic Chemistry 2019 (37), 6341-6346, 2019 | 15 | 2019 |
| What’s My Substrate? Computational Function Assignment of Candida parapsilosis ADH5 by Genome Database Search, Virtual Screening, and QM/MM Calculations GV Dhoke, Y Ensari, MD Davari, AJ Ruff, U Schwaneberg, M Bocola Journal of Chemical Information and Modeling 56 (7), 1313-1323, 2016 | 15 | 2016 |
| 3D-QSAR and molecular docking studies of amino-pyrimidine derivatives as PknB inhibitors MV Damre, RP Gangwal, GV Dhoke, M Lalit, D Sharma, K Khandelwal, ... Journal of the Taiwan Institute of Chemical Engineers 45 (2), 354-364, 2014 | 15 | 2014 |
Mehdi D. DavariResearch group leader at Leibniz Institute of Plant Biochemistry (IPB)Verified email at ipb-halle.de
