Papers matching “molecular dynamics simulation” in Enzyme Catalysis and Immobilization 28
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Rational design of an artificial ethylbenzene hydroxylase using a molecular dynamics simulation to enhance enantioselectivity2023 Chemistry Letters article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Koji Oohora, Takako Nishiura, Eiichi Mizohata, Ulrich Schwaneberg, Takashi Hayashi
9citations -
How to Engineer Organic Solvent Resistant Enzymes: Insights from Combined Molecular Dynamics and Directed Evolution Study2020 ChemCatChem article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Haiyang Cui, Tom H. J. Stadtmüller, Qianjia Jiang, Karl‐Erich Jaeger, Ulrich Schwaneberg, Mehdi D. Davari
88citations -
KnowVolution of an Efficient Polyamidase through Molecular Dynamics Simulations of Incrementally Docked Oligomeric Substrates2025 ChemSusChem article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Hendrik Puetz, Alexander-Maurice Illig, Mariia Vorobii, Christoph Janknecht, Francisca Contreras, Fabian Flemig
8citations -
KnowVolution of an efficient polyamidase through molecular dynamics simulations of incrementally docked oligomeric substrates2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Hendrik Puetz, Alexander-Maurice Illig, Mariia Vorobii, Christoph Janknecht, Francisca Contreras, Fabian Flemig, +1 more
1citations -
How Does Surface Charge Engineering of Bacillus subtilis Lipase A Improve Ionic Liquid Resistance? Lessons Learned from Molecular Dynamics Simulations2022 ACS Sustainable Chemistry & Engineering article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization
Subrata Pramanik, Haiyang Cui, Gaurao V. Dhoke, Can Bora Yildiz, Markus Vedder, Karl‐Erich Jaeger, +2 more
31citations -
Influence of ionic liquids on enzymatic asymmetric carboligations2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Tina Gerhards, Till El Harrar, Andreas Klein, Eric von Lieres, Caroline Emilie Paul, Iván Lavandera, +5 more
0citations -
Influence of ionic liquids on enzymatic asymmetric carboligations2025 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Tina Gerhards, Till El Harrar, Andreas Klein, Eric von Lieres, Caroline Emilie Paul, Iván Lavandera, +5 more
0citations -
Flexibility Regulation of Loops Surrounding the Tunnel Entrance in Cytochrome P450 Enhanced Substrate Access Substantially2022 ACS Catalysis article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization
Zhongyu Li, Shuaiqi Meng, Kaili Nie, Ulrich Schwaneberg, Mehdi D. Davari, Haijun Xu, +2 more
80citations -
Conformation-Sensitive Active-Site Residue Tyrosine 260 in Paenibacillus macerans Cyclodextrin Glycosyltransferase Governs C13-Regioselective Glycosylation of Rebaudioside A2026 Journal of Agricultural and Food Chemistry article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization
Binhao Wang, Zhaoyue Fan, Jie Zhang, Ulrich Schwaneberg, Ye Ni, Ruizhi Han
0citations -
Residue-Position-Dependent Modulation of Urethanase Activity for Polyurethane Depolymerization2026 ACS Catalysis article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization
Mingna Zheng, Jiawei Liu, Xiaomin Zhu, Caihua Liang, Ziqin Li, Qingzhu Zhang, +5 more
0citations -
CompassR Yields Highly Organic‐Solvent‐Tolerant Enzymes through Recombination of Compatible Substitutions2020 Chemistry - A European Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Haiyang Cui, Karl‐Erich Jaeger, Mehdi D. Davari, Ulrich Schwaneberg
39citations -
Modulating the Coupling Efficiency of P450 BM3 by Controlling Water Diffusion through Access Tunnel Engineering2021 ChemSusChem article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access cited by 1 patent
Shuaiqi Meng, Yu Ji, Luo Liu, Mehdi D. Davari, Ulrich Schwaneberg
24citations -
CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering**2020 ChemBioChem article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Hein J. Wijma, Bastian Nicolai, Jhon Alexander Rodriguez Buitrago, Thomas Klünemann, Agustina Vila, Patrick Schrepfer, +3 more
25citations -
Computational-Guided Hinge-Region Engineering Unlocks QtPheDH for Synthesizing Bulky Naphthyl Amino Acids2025 ACS Sustainable Chemistry & Engineering article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization
Yudong Hu, Wen Zhang, Mengxin Wang, Ulrich Schwaneberg, Ruizhi Han, Guochao Xu, +1 more
1citations -
Less Unfavorable Salt Bridges on the Enzyme Surface Result in More Organic Cosolvent Resistance2021 Angewandte Chemie International Edition article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access cited by 3 patents
Haiyang Cui, Lobna Eltoukhy, Lingling Zhang, Ulrich Markel, Karl‐Erich Jaeger, Mehdi D. Davari, +1 more
79citations -
Less Unfavorable Salt Bridges on the Enzyme Surface Result in More Organic Cosolvent Resistance2021 Angewandte Chemie article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access
Haiyang Cui, Lobna Eltoukhy, Lingling Zhang, Ulrich Markel, Karl‐Erich Jaeger, Mehdi D. Davari, +1 more
6citations