Profile Details

Create Project

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Hire Dr. Ladislav B.

Profile Summary

With a doctorate and postdoc in Computational Molecular Spectroscopy I'm an expert in Quantum Chemistry and Molecular Modeling. I have deep understanding of related methods such as Biophysics, Nuclear Magnetic Resonance and other spectroscopies and broad knowledge in overlapping fields including Molecular Biology, General Physics, Chemistry, Statistics, Programming and Computer Graphics. I'm also an accomplished pianist.

Subject Matter Expertise

• ☆ Physical Chemistry
• ☆ Molecular Modeling
• ☆ Spectroscopy
• ☆ Quantum Chemistry
• ☆ Biophysics
• ☆ Physics
• ☆ Quantum Mechanics

Services

• Consulting
• Product Development

Work Experience

Postdoctoral researcher

Centre de RMN à Très Hauts Champs

February 2016 - Present

Postdoctoral researcher

Technische Universität Berlin

July 2012 - September 2015

Ph.D. student

Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic

June 2006 - June 2012

Education

Ph.D.

Faculty of Mathematics and Physics, Charles University in Prague

October 2006 - September 2012

M.Sc. (Biophysics)

Faculty of Mathematics and Physics, Charles University in Prague

October 2001 - June 2006

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Ladislav Benda, Andrea Bertarello, Kevin J. Sanders, Andrew J. Pell, Michael J. Knight, Vladimir Pelmenschikov, Leonardo Gonnelli, Isabella C. Felli, Martin Kaupp, Lyndon Emsley, et al.(2020). Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by {NMR} . Journal of the American Chemical Society. 142. (39). p. 16757--16765. American Chemical Society ({ACS})

(2020). Pico-meter resolution structure of the coordination sphere in the metal-binding site in a metalloprotein by NMR . Journal of the American Chemical Society.

(2020). Paramagnetic Cobalt(II) Complexes with Cyclam Derivatives: Toward 19F MRI Contrast Agents . Inorganic Chemistry.

Ladislav Benda, Giacomo Parigi, Enrico Ravera, Maurizio Romanelli, Claudio Luchinat(2019). Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories . The Journal of Chemical Physics. 150. (14). p. 144101. {AIP} Publishing

Benda, Ladislav, Srb, Pavel, Svoboda, Michal, Lepsik, Martin, Tarabek, Jan, Sicha, Vaclav, Gruener, Bohumir, Grantz-Saskova, Klara, Brynda, Jiri, Rezacova, Pavlina, et al.(2019). Capturing a dynamically interacting inhibitor by paramagnetic NMR spectroscopy . Physical Chemistry Chemical Physics. 21. (10). p. 5661-5673.

Burcher, B., Sanders, K. J., Benda, L., Pintacuda, G., Jeanneau, E., Danopoulos, A. A., Braunstein, P., Olivier-Bourbigou, H., Breuil, P. A. R.(2017). Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe Olefin Complexes and Their Reactivity . Organometallics. 36. (3). p. 605-613.

Benda, L., Mares, J., Ravera, E., Parigi, G., Luchinat, C., Kaupp, M., Vaara, J.(2016). Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First Principles . Angewandte Chemie-International Edition. 55. (47). p. 14713-14717.

Benda, Ladislav, Andrushchenko, Valery, Pav, Ondrej, Dracinsky, Martin, Bour, Petr(2015). Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory . Journal of Physical Chemistry B. 119. (33). p. 10682-10692.

Benda, Ladislav, Soltesova, Maria, Peksa, Mikulas, Czernek, Jiri, Lang, Jan(2014). Determination of size of molecular clusters of ethanol by means of NMR diffusometry and hydrodynamic calculations . The journal of physical chemistry. B. 118. (24). p. 6864-74.

Emmer, J., Vavrinska, A., Sychrovsky, V., Benda, L., Kriz, Z., Koca, J., Boelens, R., Sklenar, V., Trantirek, L.(2013). Influence of the O-phosphorylation of serine, threonine and tyrosine in proteins on the amidic N-15 chemical shielding anisotropy tensors . Journal of Biomolecular Nmr. 55. (1). p. 59-70.

(2012). Detection of Mercury–TpT Dinucleotide Binding by Raman Spectra: A Computational Study .

(2012). Correlating the 31P NMR Chemical Shielding Tensor and the 2JP,C Spin–Spin Coupling Constants with Torsion Angles ζ and α in the Backbone of Nucleic Acids .

Uchiyama, T., Miura, T., Takeuchi, H., Dairaku, T., Komuro, T., Kawamura, T., Kondo, Y., Benda, L., Sychrovsky, V., Bour, P., et al.(2012). Raman spectroscopic detection of the T-Hg-II-T base pair and the ionic characteristics of mercury . Nucleic Acids Research. 40. (12). p. 5766-5774.

(2011). Calculating the Response of NMR Shielding Tensor σ(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+ Cation .

Benda, L., Straka, M., Tanaka, Y., Sychrovsky, V.(2011). On the role of mercury in the non-covalent stabilisation of consecutive U-Hg(II)-U metal-mediated nucleic acid base pairs: metallophilic attraction enters the world of nucleic acids . Physical Chemistry Chemical Physics. 13. (1). p. 100-103.

Dracinsky, M., Benda, L., Bour, P.(2011). Ab initio modeling of fused silica, crystal quartz, and water Raman spectra . Chemical Physics Letters. 512. (1-3). p. 54-59.

(2010). Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water .

(2009). Theoretical Study of the Effective Chemical Shielding Anisotropy (CSA) in Peptide Backbone, Rating the Impact of CSAs on the Cross-Correlated Relaxations inl-Alanyl-l-alanine .

(2008). Probing the Flexibility of Internal Rotation in Silylated Phenols with the NMR Scalar Spin−Spin Coupling Constants .

(2008). Dependence of thel-Alanyl-l-Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra .