Works by Roccatano, Danilo

Results: 34

Cosolvent, ions, and temperature effects on the structural properties of cecropin A-Magainin 2 hybrid peptide in solutions.

Published in:

Biopolymers, 2015, v. 103, n. 1, p. 1, doi. 10.1002/bip.22529

By:

Sarukhanyan, Edita;
Milano, Giuseppe;
Roccatano, Danilo

Publication type:

Article

Insight into the redox partner interaction mechanism in cytochrome P450BM-3 using molecular dynamics simulations.

Published in:

Biopolymers, 2014, v. 101, n. 3, p. 197, doi. 10.1002/bip.22301

By:

Verma, Rajni;
Schwaneberg, Ulrich;
Roccatano, Danilo

Publication type:

Article

Conformational dynamics of active site loop in Escherichia coli phytase.

Published in:

Biopolymers, 2010, v. 93, n. 11, p. 994, doi. 10.1002/bip.21513

By:

Shivange, Amol V.;
Schwaneberg, Ulrich;
Roccatano, Danilo

Publication type:

Article

Functionalized Nanocompartments (Synthosomes) with a Reduction-Triggered Release System.

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 37, p. 7029, doi. 10.1002/anie.200801076

By:

Onaca, Ozana;
Sarkar, Pransenjit;
Roccatano, Danilo;
Friedrich, Thomas;
Hauer, Bernard;
Grzelakowski, Mariusz;
Güven, Arcan;
Fioroni, Marco;
Schwaneberg, Ulrich

Publication type:

Article

Structural flexibility of the nucleosome core particle at atomic resolution studied by molecular dynamics simulation.

Published in:

Biopolymers, 2007, v. 85, n. 5/6, p. 407, doi. 10.1002/bip.20690

By:

Roccatano, Danilo;
Barthel, Andre;
Zacharias, Martin

Publication type:

Article

Toward understanding the inactivation mechanism of monooxygenase P450 BM-3 by organic cosolvents: A molecular dynamics simulation study.

Published in:

Biopolymers, 2006, v. 83, n. 5, p. 467, doi. 10.1002/bip.20577

By:

Roccatano, Danilo;
Wong, Tuck Seng;
Schwaneberg, Ulrich;
Zacharias, Martin

Publication type:

Article

Structural and dynamic properties of cytochrome P450 BM-3 in pure water and in a dimethylsulfoxide/water mixture.

Published in:

Biopolymers, 2005, v. 78, n. 5, p. 259, doi. 10.1002/bip.20290

By:

Roccatano, Danilo;
Wong, Tuck Seng;
Schwaneberg, Ulrich;
Zacharias, Martin

Publication type:

Article

Steering directed protein evolution: strategies to manage combinatorial complexity of mutant libraries.

Published in:

Environmental Microbiology, 2007, v. 9, n. 11, p. 2645, doi. 10.1111/j.1462-2920.2007.01411.x

By:

Tuck Seng Wong;
Roccatano, Danilo;
Schwaneberg, Ulrich

Publication type:

Article

Challenges of the genetic code for exploring sequence space in directed protein evolution.

Published in:

Biocatalysis & Biotransformation, 2007, v. 25, n. 2-4, p. 229, doi. 10.1080/10242420701444280

By:

Wong, Tuck Seng;
Roccatano*, Danilo;
Schwaneberg, Ulrich

Publication type:

Article

Modular assembly of proteins on nanoparticles.

Published in:

Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-03931-4

By:

Wenwei Ma;
Saccardo, Angela;
Roccatano, Danilo;
Aboagye-Mensah, Dorothy;
Alkaseem, Mohammad;
Jewkes, Matthew;
Di Nezza, Francesca;
Baron, Mark;
Soloviev, Mikhail;
Ferrari, Enrico

Publication type:

Article

β-Hairpin conformation of fibrillogenic peptides: Structure and α-β transition mechanism revealed by molecular dynamics simulations.

Published in:

Proteins, 2004, v. 57, n. 1, p. 198, doi. 10.1002/prot.20178

By:

Daidone, Isabella;
Simona, Fabio;
Roccatano, Danilo;
Broglia, Ricardo A.;
Tiana, Guido;
Colombo, Giorgio;
Di Nola, Alfredo

Publication type:

Article

Folding and stability of the three-stranded β-sheet peptide Betanova: Insights from molecular dynamics simulations.

Published in:

Proteins, 2002, v. 46, n. 4, p. 380, doi. 10.1002/prot.1175

By:

Colombo, Giorgio;
Roccatano, Danilo;
Mark, Alan E.

Publication type:

Article

Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation.

Published in:

Proteins, 1999, v. 35, n. 2, p. 153, doi. 10.1002/(SICI)1097-0134(19990501)35:2<153::AID-PROT2>3.0.CO;2-E

By:

Mangoni, Massimiliano;
Roccatano, Danilo;
Di Nola, Alfredo

Publication type:

Article

Molecular dynamics simulation of the docking of substrates to proteins.

Published in:

Proteins, 1994, v. 19, n. 3, p. 174, doi. 10.1002/prot.340190303

By:

Di Nola, Alfredo;
Roccatano, Danilo;
Berendsen, Herman J. C.

Publication type:

Article

Intramolecular Photo-Oxidation as a Potential Source to Probe Biological Electron Damage: A Carboxylated Adenosine Analogue as Case Study.

Published in:

Molecules, 2021, v. 26, n. 10, p. 2877, doi. 10.3390/molecules26102877

By:

Castellani, Maria Elena;
Verlet, Jan R. R.;
Abdi, Fatwa Firdaus;
Roccatano, Danilo

Publication type:

Article

Computational Insights into Allosteric Conformational Modulation of P-Glycoprotein by Substrate and Inhibitor Binding.

Published in:

Molecules, 2020, v. 25, n. 24, p. 6006, doi. 10.3390/molecules25246006

By:

Xing, Juan;
Huang, Shuheng;
Heng, Yu;
Mei, Hu;
Pan, Xianchao;
Roccatano, Danilo

Publication type:

Article

Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies.

Published in:

ChemPhysChem, 2005, v. 6, n. 8, p. 1641, doi. 10.1002/cphc.200500074

By:

Sandeep Pal;
Danilo Roccatano;
Horst Weiss;
Harald Keller;
Florian Müller-Plathe

Publication type:

Article

Conformational and Electronic Properties of a Microperoxidase in Aqueous Solution: A Computational Study.

Published in:

ChemPhysChem, 2005, v. 6, n. 4, p. 681, doi. 10.1002/cphc.200400493

By:

Carla Di Teodoro;
Massimiliano Aschi;
Andrea Amadei;
Danilo Roccatano;
Francesco Malatesta;
Luca Ottaviano

Publication type:

Article

Dynamical Aspects of TEM-1 β-Lactamase Probed by Molecular Dynamics.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 5, p. 329, doi. 10.1007/s10822-005-7003-0

By:

Roccatano, Danilo;
Sbardella, Gianluca;
Aschi, Massimiliano;
Amicosante, Gianfranco;
Bossa, Cecilia;
Di Nola, Alfredo;
Mazza, Fernando

Publication type:

Article

Transversion-enriched sequence saturation mutagenesis (SeSaM-Tv<sup>+</sup>): A random mutagenesis method with consecutive nucleotide exchanges that complements the bias of error-prone PCR.

Published in:

Biotechnology Journal, 2008, v. 3, n. 1, p. 74, doi. 10.1002/biot.200700193

By:

Seng Wong, Tuck;
Roccatano, Danilo;
Loakes, David;
Tee, Kang Lan;
Schenk, Alexander;
Hauer, Bernhard;
Schwaneberg, Ulrich

Publication type:

Article

Are transversion mutations better? A Mutagenesis Assistant Program analysis on P450 BM-3 heme domain.

Published in:

Biotechnology Journal, 2007, v. 2, n. 1, p. 133, doi. 10.1002/biot.200600201

By:

Wong, Tuck Seng;
Roccatano, Danilo;
Schwaneberg, Ulrich

Publication type:

Article

Temperature effects on structure and dynamics of the psychrophilic protease subtilisin S41 and its thermostable mutants in solution.

Published in:

PEDS: Protein Engineering, Design & Selection, 2011, v. 24, n. 7, p. 533, doi. 10.1093/protein/gzr014

By:

Martinez, Ronny;
Schwaneberg, Ulrich;
Roccatano, Danilo

Publication type:

Article

Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant.

Published in:

PEDS: Protein Engineering, Design & Selection, 2008, v. 21, n. 1, p. 29

By:

Jovana Nazor;
Stephanie Dannenmann;
Richard Obeng Adjei;
Yaw Boafo Fordjour;
Isaac Tyrone Ghampson;
Milan Blanusa;
Danilo Roccatano;
Ulrich Schwaneberg

Publication type:

Article

Iterative key-residues interrogation of a phytase with thermostability increasing substitutions identified in directed evolution.

Published in:

Applied Microbiology & Biotechnology, 2016, v. 100, n. 1, p. 227, doi. 10.1007/s00253-015-6959-5

By:

Shivange, Amol;
Roccatano, Danilo;
Schwaneberg, Ulrich

Publication type:

Article

Directed evolution of a highly active Yersinia mollaretii phytase.

Published in:

Applied Microbiology & Biotechnology, 2012, v. 95, n. 2, p. 405, doi. 10.1007/s00253-011-3756-7

By:

Shivange, Amol;
Serwe, Annegret;
Dennig, Alexander;
Roccatano, Danilo;
Haefner, Stefan;
Schwaneberg, Ulrich

Publication type:

Article

Effect of hexafluoroisopropanol alcohol on the structure of melittin: A molecular dynamics simulation study.

Published in:

Protein Science: A Publication of the Protein Society, 2005, v. 14, n. 10, p. 2582, doi. 10.1110/ps.051426605

By:

Roccatano, Danilo;
Fioroni, Marco;
Zacharias, Martin;
Colombo, Giorgio

Publication type:

Article

Directed Evolution of Subtilisin E into a Highly Active and Guanidinium Chloride- and Sodium Dodecylsulfate-Tolerant Protease.

Published in:

ChemBioChem, 2012, v. 13, n. 5, p. 691, doi. 10.1002/cbic.201100714

By:

Li, Zhenwei;
Roccatano, Danilo;
Lorenz, Michael;
Schwaneberg, Ulrich

Publication type:

Article

SeSaM-Tv-II Generates a Protein Sequence Space that is Unobtainable by epPCR.

Published in:

ChemBioChem, 2011, v. 12, n. 10, p. 1595, doi. 10.1002/cbic.201100010

By:

Mundhada, Hemanshu;
Marienhagen, Jan;
Scacioc, Andreea;
Schenk, Alexander;
Roccatano, Danilo;
Schwaneberg, Ulrich

Publication type:

Article

Inside Cover: A Potential Antitumor Drug (Arginine Deiminase) Reengineered for Efficient Operation under Physiological Conditions (ChemBioChem 16/2010).

Published in:

ChemBioChem, 2010, v. 11, n. 16, p. 2194, doi. 10.1002/cbic.201090078

By:

Zhu, Leilei;
Verma, Rajni;
Roccatano, Danilo;
Ni, Ye;
Sun, Zhi-Hao;
Schwaneberg, Ulrich

Publication type:

Article

A Potential Antitumor Drug (Arginine Deiminase) Reengineered for Efficient Operation under Physiological Conditions.

Published in:

ChemBioChem, 2010, v. 11, n. 16, p. 2294, doi. 10.1002/cbic.201000458

By:

Zhu, Leilei;
Verma, Rajni;
Roccatano, Danilo;
Ni, Ye;
Sun, Zhi-Hao;
Schwaneberg, Ulrich

Publication type:

Article

Directed Evolution of an Antitumor Drug (Arginine Deiminase PpADI) for Increased Activity at Physiological pH.

Published in:

ChemBioChem, 2010, v. 11, n. 5, p. 691, doi. 10.1002/cbic.200900717

By:

Zhu, Leilei;
Tee, Kang Lan;
Roccatano, Danilo;
Sonmez, Burcu;
Ni, Ye;
Sun, Zhi-Hao;
Schwaneberg, Ulrich

Publication type:

Article

Validation of a hybrid MD-SCF coarse-grained model for DPPC in non-lamellar phases.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1167-1

By:

Nicola, Antonio;
Zhao, Ying;
Kawakatsu, Toshihiro;
Roccatano, Danilo;
Milano, Giuseppe

Publication type:

Article

Molecular dynamics simulation of the interaction between the complex iron-sulfur flavoprotein glutamate synthase and its substrates.

Published in:

Protein Science: A Publication of the Protein Society, 2004, v. 13, n. 11, p. 2979, doi. 10.1110/ps.04863104

By:

Coiro, Vincenza M.;
Di Nola, Alfredo;
Vanoni, Maria A.;
Aschi, Massimiliano;
Coda, Alessandro;
Curti, Bruno;
Roccatano, Danilo

Publication type:

Article

Interplay between hydrophobic cluster and loop propensity in β-hairpin formation: A mechanistic study.

Published in:

Protein Science: A Publication of the Protein Society, 2003, v. 12, n. 3, p. 538, doi. 10.1110/ps.0227203

By:

Colombo, Giorgio;
De Mori, Giacomo M.S.;
Roccatano, Danilo

Publication type:

Article