Massimiliano Anselmi

Massimiliano Anselmi

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Massimiliano Anselmi

Massimiliano Anselmi

Publications by authors named "Massimiliano Anselmi"

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22Publications

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Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics.

J Chem Theory Comput 2015 Aug;11(8):3906-18

Structural Bioinformatics, BIOTEC TU Dresden , Tatzberg 47-51, 01307 Dresden, Germany.

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http://dx.doi.org/10.1021/acs.jctc.5b00253DOI Listing
August 2015

Mutations in ZBTB20 cause Primrose syndrome.

Nat Genet 2014 Aug 13;46(8):815-7. Epub 2014 Jul 13.

1] Department of Clinical Genetics, Academic Medical Center, University of Amsterdam, Amsterdam, the Netherlands. [2] Department of Pediatrics, Academic Medical Center, University of Amsterdam, Amsterdam, the Netherlands. [3].

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http://dx.doi.org/10.1038/ng.3035DOI Listing
August 2014

Sulfated glycosaminoglycans exploit the conformational plasticity of bone morphogenetic protein-2 (BMP-2) and alter the interaction profile with its receptor.

Biomacromolecules 2014 Aug 16;15(8):3083-92. Epub 2014 Jul 16.

Institute of Materials Science, Max Bergmann Center of Biomaterials, TU Dresden , Budapester Strasse 27, 01069 Dresden, Germany.

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http://dx.doi.org/10.1021/bm5006855DOI Listing
August 2014

Analysis of infrared spectra of β-hairpin peptides as derived from molecular dynamics simulations.

J Phys Chem B 2011 Oct 26;115(41):11872-8. Epub 2011 Sep 26.

Dipartimento di Chimica, University of Rome La Sapienza, Rome, Italy.

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http://dx.doi.org/10.1021/jp202332zDOI Listing
October 2011

The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations.

Proteins 2011 Mar 22;79(3):867-79. Epub 2010 Dec 22.

Department of Chemistry, University of Rome La Sapienza, Rome, Italy.

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http://dx.doi.org/10.1002/prot.22924DOI Listing
March 2011

Kinetics of carbon monoxide migration and binding in solvated neuroglobin as revealed by molecular dynamics simulations and quantum mechanical calculations.

J Phys Chem B 2011 Mar 18;115(10):2436-46. Epub 2011 Feb 18.

Department of Chemistry, University of Rome La Sapienza, Rome, Italy.

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http://dx.doi.org/10.1021/jp110833vDOI Listing
March 2011

Dynamic investigation of protein metal active sites: interplay of XANES and molecular dynamics simulations.

J Am Chem Soc 2010 Oct;132(42):14901-9

Department of Chemistry, University of Rome La Sapienza, P.le Aldo Moro 5, 00185 Rome, Italy.

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http://dx.doi.org/10.1021/ja1056533DOI Listing
October 2010

Combining crystallography and molecular dynamics: the case of Schistosoma mansoni phospholipid glutathione peroxidase.

Proteins 2010 Feb;78(2):259-70

Dipartimento di Scienze Biochimiche A. Rossi Fanelli and Istituto Pasteur, Fondazione Cenci Bolognetti, Sapienza University of Rome, Rome, Italy.

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http://dx.doi.org/10.1002/prot.22536DOI Listing
February 2010

Molecular dynamics simulation of the neuroglobin crystal: comparison with the simulation in solution.

Biophys J 2008 Nov 18;95(9):4157-62. Epub 2008 Jul 18.

Dipartimento di Chimica and Dipartimento di Scienze Biochimiche, Università di Roma "La Sapienza", Rome, Italy.

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http://dx.doi.org/10.1529/biophysj.108.135855DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2567928PMC
November 2008

The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.

Biophys J 2008 Jun 29;94(11):4277-81. Epub 2008 Feb 29.

Department of Chemistry, University of Rome "La Sapienza", Rome, Italy.

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http://dx.doi.org/10.1529/biophysj.107.124529DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2480659PMC
June 2008

Molecular dynamics simulation of deoxy and carboxy murine neuroglobin in water.

Biophys J 2007 Jul 27;93(2):434-41. Epub 2007 Apr 27.

Dipartimento di Chimica, Università di Roma La Sapienza, Rome, Italy.

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http://dx.doi.org/10.1529/biophysj.106.099648DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1896225PMC
July 2007

Theoretical characterization of carbon monoxide vibrational spectrum in sperm whale myoglobin distal pocket.

Biophys J 2007 May 16;92(10):3442-7. Epub 2007 Feb 16.

Department of Chemistry, University of Rome La Sapienza, Rome, Italy.

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http://dx.doi.org/10.1529/biophysj.106.098442DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853160PMC
May 2007

Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case.

J Chem Phys 2005 Mar;122(12):124506

Dipartimento di Scienze e Tecnologie Chimiche, Universita di Roma Tor Vergata, via della Ricerca Scientifica 1, 00133 Roma, Italy.

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http://dx.doi.org/10.1063/1.1870812DOI Listing
March 2005