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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
  • 2017- Fellow of the American Association for the Advancement of Science (AAAS)
  • 2018- Laboratory Fellow, Los Alamos National Laboratory
  • Member of the Biophysical Society, the AAAS, American Physical Society, and the American Chemical Society.
  • Editorial Board Member of Proteins, Structure, Function and Bioinformatics
  • Section Head for Theory & Modelling in Biological Physics, Biological Physics Faculty in F1000Prime
 Educational Background/Employment:
  • Ph.D., Theoretical Physics, Cornell University (JA Krumhansl, Thesis advisor).
  • M.S., Physics, University of Puerto Rico, Rio Piedras
  • B.S., Physics (Magna cum Laude), University of Puerto Rico, Rio Piedras
  • Employment:
    • 2015-Present, Director, Center for NonLinear Studies (CNLS), Los Alamos National Laboratory.
    • 2005-2016, 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
  • Membrane proteins
  • Molecular simulations
  • Pressure effects on biomolecular stability
  • RNA folding
  • Intrinsically disordered proteins
  • Enhanced sampling methods

Selected Recent Publications:

    Google Scholar:
  1. V A Ngo, S. Sarkar,C Neale, AE Garcia, How Anionic Lipids Affect Spatiotemporal Properties of KRAS4B on Model Membranes J. Phys. Chem. B, 124 (266), 5334--5453 (2020)
  2. C Neale, AE Garcia, The Plasma Membrane as a Competitive Inhibitor and Positive Allosteric Modulator of KRas4B Signaling Biophys. Journal, 118 (5), 1129--1141 (2020)
  3. C Neale, AE Garcia, Methionine 170 is an Environmentally Sensitive Membrane Anchor in the Disordered HVR of K-Ras4B J. Phys. Chem. B, 122 (44), 10086-10096 (2018)
  4. L Ye, C Neale, A Sljoka, B Lyda, D Pichugin, N Tsuchimura, ST Larda, et al., Mechanistic insights into allosteric regulation of the A 2A adenosine G protein-coupled receptor by physiological cations, Nature Communications, 9 (1), 1372 (2018)
  5. JC Miner, AE Garcia, Equilibrium denaturation and preferential interactions of an RNA tetraloop with urea, J. Phys. Chem. B, 121 (15), 3734-3746 (2017)
  6. MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, F Sterpone, D van der Spoel, Y Xu, AE Garcia, Water determines the structure and dynamics of proteins Chemical Reviews 116 (13), 7673-7697 (2016)
  7. JC Miner, AA Chen, AE Garcia, Free-energy landscape of a hyperstable RNA tetraloop, Procs Natl. Acad. Sci (USA), 113 (24), 6665-6670 (2016)
  8. D J Rosenman, C Wang, and A E Garcia, Characterization of A-beta Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields, J. Phys. Chem. B, 120 (2), 259-277 (2016) (feature article)
  9. C Neale, H D Herce, R Pomes, A E Garcia, Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor? Biophys. J. 109 , 1652-1662 (2015).
  10. 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 beta Protein and Alzheimers Disease: When Computer Simulations Complement Experimental Studies, Chemical Reviews, 115 (9), 3518-3563 (2015)
  11. 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)
  12. 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)
  13. J Roche, M Dellarole, J A. Caro, D R. N, A E Garcia, B Garcia-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).
  14. 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)
  15. D R. Canchi and A E. Garcia, Co-solvent effects on protein stability Ann. Rev. Phys. Chem. 64, 273-293 (2013)
  16. K Huang and A E. Garcia, Methodological Issues in Free Energy Calculation of Lipid Flip-Flop in Bilayers Biophys. J. 104: 412-420 (2013)
  17. J Roche, J A. Caro, D R. Norberto, P Barthe, C Roumestand, J L. Schlessman, A E. Garcia, Bertrand Garcia-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.
  18. 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
  19. 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 the Ab(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
  20. R. Day, D. Paschek, and A. E. Garcia, Microsecond simulations of the folding/unfolding thermodynamics of the trp-cage mini protein. Proteins: Structure, function and Bioinformatics, 78 :1889-1899 (2010)
  21. 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)
  22. D Canchi, D Paschek, and AE Garcia, An Equilibrium Study of protein denaturation by Urea, J Amer. Chem. Soc. 132 : 2338-2344 (2010)
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