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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
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0citations -
Supplementary computational data for the article: "Light-driven Reversible Ring Contraction and Expansion to Modulate Strain, Conformation, and Reactivity"0citations
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Supplementary computational data for the article: "Light-driven Reversible Ring Contraction and Expansion to Modulate Strain, Conformation, and Reactivity"0citations
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Generating Chromosome Geometries in a Minimal Cell From Cryo-Electron Tomograms and Chromosome Conformation Capture Maps2021 Frontiers in Molecular Biosciences article Biochemistry, Genetics and Molecular Biology Genomics and Chromatin Dynamics Open access
Benjamin R. Gilbert, Zane R. Thornburg, Vinson Lam, Fatema‐Zahra M. Rashid, John I. Glass, Elizabeth Villa, +2 more
34citations -
CREST—A program for the exploration of low-energy molecular chemical space2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more
573citations -
Molecular Dynamics-Assisted Interpretation of Experimentally Determined Intrinsically Disordered Protein Conformational Components: The Case of Human α-Synuclein2022 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Oscar Palomino‐Hernández, Carlo Santambrogio, Giulia Rossetti, Claudio O. Fernández, Rita Grandori, Paolo Carloni
10citations -
Flexibility of the TRMT10C N-Terminal Domain Helix Explored by Molecular Dynamics Simulations2026 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Gia Linh Hoang, Giulia Rossetti, Carine Tisné, Paolo Carloni
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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 -
Earthworm Coelomocyte Internalization of MoS2 Nanosheets: Multiplexed Imaging, Molecular Profiling, and Computational Modeling2023 Environmental Science & Technology article Engineering Graphene and Nanomaterials Applications Open access
Kailun Sun, Jason Christopher White, Erkai He, Cornelis A.M. van Gestel, Peng Zhang, Willie J.G.M. Peijnenburg, +1 more
6citations -
Conformation and Phase Behavior of Sodium Carboxymethyl Cellulose in the Presence of Mono- and Divalent Salts2020 Macromolecules article Chemistry Electrostatics and Colloid Interactions Open access cited by 3 patents
William N. Sharratt, Róisín O’Connell, Sarah E. Rogers, Carlos G. Lopez, João T. Cabral
41citations -
Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways2025 Nature Communications article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access
David Aranda-García, Tomasz Maciej Stępniewski, Mariona Torrens‐Fontanals, Adrián García‐Recio, Marta Lopez‐Balastegui, Brian Medel-Lacruz, +37 more
68citations -
Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation2025 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access
Thor van Heesch, Sudhanshu Sharma, Bert van Erp, Alberto Pérez de Alba Ortíz, Remus Thei Dame, Jocelyne Vreede, +1 more
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Determining structure and action mechanism of LBF14 by molecular simulation2021 Journal of Biomolecular Structure and Dynamics article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Florian Solbach, Austen Bernardi, Shivani Bansal, Madhu S. Budamagunta, Lukas Krep, Kai O. Leonhard, +3 more
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