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Demian Riccardi
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Demian Riccardi

Postdoctoral Fellow (2011 - 2014)


  1. B.A. Vassar College
  2. Ph.D. University of Wisconsin-Madison


I grew up in West Haven, CT.

Current Research

  • Hg(II) 

Research Interests

  • Biophysical chemistry
  • Metal binding and transfer
  • Proton binding and transfer
  • Enzyme catalysis
  • Biomolecular structure and dynamics
  • X-ray scattering
  • Multiscale modeling


A complete list can be found here. Some selected publications:

J. Zhou, D. Riccardi, A. Beste, J.C. Smith and J.M. Parks, Mercury methylation by HgcA: Theory supports carbanion transfer to Hg(II), Inorg. Chem., (In press).

D. Riccardi, H.-B. Guo, J. M. Parks, B. Gu, A.O. Summers, S.M. Miller, L. Liang and J.C. Smith, Why mercury prefers soft ligands, J. Phys. Chem. Lett., 4, 2317 (2013).

D. Riccardi, H.-B. Guo, J.M. Parks, B. Gu, L. Liang, J.C. Smith, Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations, J. Chem. Theory Comput., 9, 555 (2013)

D. Riccardi, Q. Cui, G.N. Phillips Jr., Evaluating elastic network models of crystalline biological molecules with temperature factors, correlated motions, and diffuse X-ray scattering,   Biophys J, 99, 2616 (2010)

D. Riccardi, Q. Cui, G.N. Phillips Jr., Application of elastic network models to proteins in the crystalline state, Biophys J, 96, 464 (2009)

D. Riccardi, P. Koenig, H. Guo, Q. Cui, Proton transfer in Carbonic Anhydrase is controlled by electrostatics rather than the orientation of the acceptor group, Biochem, 47, 2369 (2008)

D. Riccardi, Q. Cui, pKa analysis for the zinc-bound water in Human Carbonic Anhydrase II: benchmark for multi-scale QM/MM simulations and mechanistic implications, J Phys Chem A, 111, 5703 (2007), Special Section: DFTB Symposium

D. Riccardi, P. Koenig, H. Yu, X. Prat-Resina, M. Elstner, T. Frauenheim, Q. Cui, Proton holes in long-range proton transfers in solution and enzymes, J Am Chem Soc, 128, 16302 (2006)

D. Riccardi, P. Schaefer, Y. Yang, H. Yu,N. Ghosh, X. Prat-Resina, P. Koenig, G.H. Li, D. Xu, H. Guo, M. Elstner, and Q. Cui, Development of effective QM/MM methods for complex biophysical processes, J Phys Chem B, 110, 6458 (2006), Feature Article

D. Riccardi, P. Schaefer, Q. Cui, pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: A quantitative test of  QM/MM protocols, J Phys Chem B, 109, 17715 (2005), Featured on the journal cover

D. Riccardi, G.H. Li, Q. Cui, Importance of van der Waals interactions in QM/MM Simulations, J Phys Chem B, 108, 6467 (2004)