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Angel E Garcia

Director of CNLS
Los Alamos National Laboratory

Theoretical and computational studies of the structure, dynamics and stability of biological molecules.

Angel E Garcia

Office: TA-3, Bldg 1690, Room 101B
Mail Stop: B258
Phone: (505) 665-3883
Fax: (505) 665-2659
home page

Research highlight
  • 1997 - Fellow of the American Physical Society
  • 2016- Fellow of the Biophysical Society
  • Member of the Biophysical Society, the AAAS, and the American Chemical Society.
  • Associate Editor of Proteins, Structure, Function and Bioinformatics
 Educational Background/Employment:
  • Ph.D., Theoretical Physics, Cornell University.
  • M.S., Physics, University of Puerto Rico, Rio Piedras
  • B.S., Physics (Magna cum Laude), University of Puerto Rico, Rio Piedras
  • Employment:
    • 2005-2015, (on leave) Senior Constellation Professor for Biocomputation and Bioinformatics, Rensselaer Polytechnic Institute, Troy, NY
    • 2011-2015, Department Head, Physics, Rensselaer Polytechnic Institute, Troy, NY
    • 2001-2005, Group Leader, Theoretical Biology and Biophysics Group Theoretical Division, Los Alamos National Laboratory (LANL), Los Alamos, NM
    • 1989-2005, Staff Member, Theoretical Biology and Biophysics Group, Theoretical Division, Los Alamos National Laboratory Los Alamos, NM

Research Interests:

  • Protein folding and Dynamics
  • RNA folding
  • Membrane proteins
  • Intrinsically disordered proteins
  • Molecular simulations
  • Enhanced sampling methods
  • Pressure effects on biomolecular stability

Selected Recent Publications:

    Google Scholar:
  1. D J Rosenman, C Wang, and A E García, Characterization of Aβ Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields, J. Phys. Chem. B, 120 (2), pp 259–277 (2016) (feature article)
  2. C Neale, H D Herce, R Pomès, A E García, Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor? Biophys. J. 109 , 1652-1662 (2015).
  3. J N-Labouze, P H Nguyen, F Sterpone, O Berthoumieu, N-V Buchete, S Coté, A De Simone, A J Doig, P Faller, A E Garcia, A Laio, M S Li, S Melchionna, N Mousseau, Y Mu, A Paravastu, S Pasquali, D J Rosenman, B Strodel, B Tarus, J H Viles, T Zhang, C Wang, P Derreumaux, Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies, Chem. Rev., 115 (9), pp 3518–3563 (2015)
  4. HD Herce, AE Garcia, MC Cardoso, Fundamental molecular mechanism for the cellular uptake of guanidinium-rich molecules” J. Amer. Chem. Soc. 136 (50), 17459-17467 (2014)
  5. A A Chen and A E Garcia, High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations, Procs Natl. Acad. Sci (USA) 110 (42) 16820-16825 (2013)
  6. J Roche, M Dellarole, J A. Caro, D R. N, A E Garcia, B García-Moreno E., C Roumestand, and C A Royer. Effect of Internal Cavities on Folding Rates and Routes Revealed by Real-Time Pressure-Jump NMR Spectroscopy.” j Amer Chem Soc 135 :14610-14618 (2013).
  7. C A. Jimenez-Cruz and A E. Garcia, Reconstructing the most probable folding transition path from replica exchange molecular dynamics simulations" J. Chem. Theory and Computation 9 (8), 3750 – 3755 (2013)
  8. D R. Canchi and A E. Garcia, “Co-solvent effects on protein stability” Ann. Rev. Phys. Chem. 64: 273-293 (2013)
  9. K Huang and A E. Garcia, “Methodological Issues in Free Energy Calculation of Lipid Flip-Flop in Bilayers” Biophys. Journal 104: 412-420 (2013)
  10. J Roche, J A. Caro, D R. Norberto, P Barthe, C Roumestand, J L. Schlessman, A E. Garcia, Bertrand García-Moreno E. and C A. Royer, “Cavities Determine the Pressure Unfolding of Proteins”, Procs. Natl. Acad. Sci. (USA) 109 :6945-6950 (2012). Selected for commentary.
  11. J Tian and A E. Garcia, “Simulation studies of protein folding/unfolding equilibrium under polar and non-polar confinement”, J Amer. Chem. Soc. 133 : 15157-15164 (2011) DOI: 10.1021/ja2054572
  12. N.G. Sgourakis, M. Merced-Serrano, C. Boutsidis, P. Drineas, Z. Du, C. Wang and A. E. Garcia, “Atomic-Level Characterization of the Ensemble of theAb(1–42) Monomer in Water Using Unbiased Molecular Dynamics Simulations and Spectral Algorithms” J Mol. Biol. 405 : 570-583 (2011) DOI: 10.1016/j.jmb.2010.10.015
  13. R. Day, D. Paschek, and A. E. Garcia. “Mircrosecond simulations of the folding/unfolding thermodynamics of the trp-cage mini protein. Proteins: Structure, function and Bioinformatics, 78 :1889-1899 (2010)
  14. N Sgourakis and A.E. Garcia, The Membrane Complex between Transducin and Dark-state Rhodopsin exhibits large-amplitude Interface Dynamics on the sub-μsec timescale: Insights from all-atom MD simulations”. J. Mol. Biol. 398 : 161-173 (2010)
  15. W Zhuang, N G. Sgourakis, Z Li, A E. Garcia, S Mukamel. “Discriminating early stage Ab-42 monomer structures using Chirality-Induced 2DIR Spectroscopy: a simulation study” Procs. Natl. Acad. Sci (USA) 143 : 15687-15692 (2010)
  16. D Canchi, D Paschek, and A E. Garcia. “An Equilibrium Study of protein denaturation by Urea”, J Amer. Chem. Soc. 132 : 2338-2344 (2010)
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