A. Garcia

发表

Exploring the energy landscape of a β hairpin in explicit solvent

K. Sanbonmatsu, A. Garcia, 2001 .

Simulation of the folding equilibrium of α-helical peptides: A comparison of the generalized Born approximation with explicit solvent

H. Nymeyer, A. Garcia, 2003, Proceedings of the National Academy of Sciences of the United States of America.

α-Helical stabilization by side chain shielding of backbone hydrogen bonds

K. Sanbonmatsu, A. Garcia, 2002, Proceedings of the National Academy of Sciences of the United States of America.

Folding a protein in a computer: An atomic description of the folding/unfolding of protein A

J. Onuchic, A. Garcia, 2003, Proceedings of the National Academy of Sciences of the United States of America.

Nature of structural inhomogeneities on folding a helix and their influence on spectral measurements.

R. Hochstrasser, A. Garcia, S. Gnanakaran, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Simulation of the pressure and temperature folding/unfolding equilibrium of a small RNA hairpin.

A. Garcia, D. Paschek, 2008, Journal of the American Chemical Society.

Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution.

A. Garcia, T. Ghosh, S. Garde, 2003, Biophysical journal.

Role of Backbone Hydration and Salt-Bridge Formation in Stability of α-Helix in Solution

A. Garcia, T. Ghosh, S. Garde, 2003 .

Methionine 170 is an Environmentally Sensitive Membrane Anchor in the Disordered HVR of K-Ras4B.

Angel E García, Chris Neale, A. Garcia, 2018, The journal of physical chemistry. B.

Water Determines the Structure and Dynamics of Proteins.

Richard H. Henchman, P. Pohl, D. van der Spoel, 2016, Chemical reviews.

Simulations of the confinement of ubiquitin in self-assembled reverse micelles.

Angel E García, A. Garcia, Jianhui Tian, 2011, The Journal of chemical physics.

Protein folding mediated by solvation: Water expulsion and formation of the hydrophobic core occur after the structural collapse

J. Onuchic, A. Garcia, M. Cheung, 2002, Proceedings of the National Academy of Sciences of the United States of America.

Mirror images as naturally competing conformations in protein folding.

Wolfgang Wenzel, Alexander Schug, José N Onuchic, 2012, The journal of physical chemistry. B.

Folding time predictions from all-atom replica exchange simulations.

J. Onuchic, H. Levine, A. Garcia, 2007, Journal of molecular biology.

Interplay among tertiary contacts, secondary structure formation and side-chain packing in the protein folding mechanism: all-atom representation study of protein L.

J. Onuchic, A. Garcia, C. Clementi, 2003, Journal of molecular biology.

Fundamental Molecular Mechanism for the Cellular Uptake of Guanidinium-Rich Molecules

M. C. Cardoso, A. Garcia, H. D. Herce, 2014, Journal of the American Chemical Society.

Microsecond simulations of the folding/unfolding thermodynamics of the Trp‐cage miniprotein

A. Garcia, D. Paschek, Ryan Day, 2010, Proteins.

Influence of water-protein hydrogen bonding on the stability of Trp-cage miniprotein. A comparison between the TIP3P and TIP4P-Ew water models.

A. Garcia, D. Paschek, Ryan Day, 2011, Physical chemistry chemical physics : PCCP.

Reversible temperature and pressure denaturation of a protein fragment: a replica exchange molecular dynamics simulation study.

A. Garcia, D. Paschek, 2004, Physical review letters.

Helix‐coil transition of alanine peptides in water: Force field dependence on the folded and unfolded structures

A. Garcia, S. Gnanakaran, Sandrasegaram Gnanakaran, 2005, Proteins.

Molecular dynamics simulations of protein folding.

A. Garcia, 2008, Methods in molecular biology.

Simulations of the pressure and temperature unfolding of an α-helical peptide

A. Garcia, S. Gnanakaran, D. Paschek, 2005 .

MHC-peptide binding is assisted by bound water molecules.

P. Petrone, A. Garcia, 2004, Journal of molecular biology.

Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: on the structure and possible role of internal water.

H. Nymeyer, A. Garcia, D. Paschek, 2007, Journal of structural biology.

The Alzheimer's peptides Abeta40 and 42 adopt distinct conformations in water: a combined MD / NMR study.

Yilin Yan, Nikolaos G Sgourakis, Angel E Garcia, 2007, Journal of molecular biology.

Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms.

Christos Boutsidis, Petros Drineas, Nikolaos G Sgourakis, 2011, Journal of molecular biology.

Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes

Angel E Garcia, Henry D Herce, A. Garcia, 2007, Proceedings of the National Academy of Sciences.

Peptide folding simulations.

S Gnanakaran, Hugh Nymeyer, Angel E García, 2003, Current opinion in structural biology.

Ion pair potentials-of-mean-force in water

G. Hummer, L. Pratt, A. Garcia, 1994, chem-ph/9404001.

Free-energy landscape of a hyperstable RNA tetraloop

Angel E García, A. Garcia, Alan A. Chen, 2016, Proceedings of the National Academy of Sciences.

Peptide Bond Isomerization in High-Temperature Simulations.

A. Garcia, R. Pomès, C. Neale, 2016, Journal of chemical theory and computation.

Chapter 5 Simulations of Temperature and Pressure Unfolding of Peptides and Proteins with Replica Exchange Molecular Dynamics

A. Garcia, D. Paschek, H. D. Herce, 2006 .

Folding of a highly conserved diverging turn motif from the SH3 domain.

A. Garcia, S. Gnanakaran, 2003, Biophysical journal.

The membrane complex between transducin and dark-state rhodopsin exhibits large-amplitude interface dynamics on the sub-microsecond timescale: insights from all-atom MD simulations.

A. Garcia, N. Sgourakis, 2010, Journal of molecular biology.

Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins.

A. Garcia, B. García-Moreno E., A. Damjanovic, 2007, Biophysical journal.

Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach.

A. Garcia, Wen Chen, Chunyu Wang, 2013, Journal of molecular biology.

Size and sequence and the volume change of protein folding.

D. Barrick, A. Garcia, C. Royer, 2011, Journal of the American Chemical Society.

Protein Conformational Space Populated in Solution Probed with Aromatic Residual Dipolar 13C–1H Couplings

T. Szyperski, A. Garcia, K. Singarapu, 2013, Chembiochem : a European journal of chemical biology.

High pressure NMR reveals conformational perturbations by disease-causing mutations in amyloid β-peptide.

A. Garcia, Chunyu Wang, David J. Rosenman, 2018, Chemical communications.

Simulations of Temperature and Pressure Unfolding of Peptides and Proteins with Replica Exchange Molecular Dynamics

A. Garcia, D. Paschek, H. D. Herce, 2009 .

The hydration free energy of water

G. Hummer, L. Pratt, A. Garcia, 1995, chem-ph/9507004.

Impact of hydrodynamics on effective interactions in suspensions of active and passive matter.

A. Garcia, Ryan C Krafnick, 2015, Physical review. E, Statistical, nonlinear, and soft matter physics.

Equilibrium thermodynamics and folding kinetics of a short, fast-folding, beta-hairpin.

A. Garcia, C. Jimenez-Cruz, 2014, Physical chemistry chemical physics : PCCP.

Supplementary data for HIV-1 Tat membrane interaction probed using X-ray and neutron scattering , CD , and MD simulations

A. Garcia, J. Nagle, S. Tristram-Nagle, 2014 .

Atomic-level description of amyloid beta-dimer formation.

R. Nussinov, A. Garcia, S. Gnanakaran, 2006, Journal of the American Chemical Society.

Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations

R. Sunahara, A. Garcia, Adnan Sljoka, 2018, Nature Communications.

NMR and Computation Reveal a Pressure-Sensitive Folded Conformation of Trp-Cage.

A. Garcia, C. Royer, S. McCallum, 2017, The journal of physical chemistry. B.

On the free energy of ionic hydration

G. Hummer, L. Pratt, A. Garcia, 1995, chem-ph/9505005.

New perspectives on hydrophobic effects

Gerhard Hummer, Shekhar Garde, Lawrence R. Pratt, 2000 .

Multisite Ion Model in Concentrated Solutions of Divalent Cations (MgCl2 and CaCl2): Osmotic Pressure Calculations

A. Garcia, A. Saxena, 2014, The journal of physical chemistry. B.

High-resolution reversible folding of hyperstable RNA tetraloops using molecular dynamics simulations

Angel E García, A. Garcia, Alan A. Chen, 2013, Proceedings of the National Academy of Sciences.

Computing the stability diagram of the Trp-cage miniprotein

A. Garcia, D. Paschek, Dietmar Paschek, 2008, Proceedings of the National Academy of Sciences.

Presence or absence of Ras-dimerization shows distinct kinetic signature in Ras-Raf interaction

A. Garcia, Sumantra Sarkar, 2019, bioRxiv.

Hydration of biological macromolecules: from small solutes to proteins and nucleic acids

G. Hummer, A. Garcia, S. Garde, 1996 .

Anionic Lipids Impact RAS-Binding Site Accessibility and Membrane Binding Affinity of CRAF RBD-CRD.

A. Garcia, S. Gnanakaran, A. Stephen, 2020, Biophysical journal.

Structure-based design of a heptavalent anthrax toxin inhibitor.

R. Kane, A. Garcia, Ryan Day, 2011, Biomacromolecules.

Characterization of Aβ Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields.

A. Garcia, Chunyu Wang, David J. Rosenman, 2016, The journal of physical chemistry. B.

Cavities determine the pressure unfolding of proteins

Jose A. Caro, Julien Roche, Catherine A. Royer, 2012, Proceedings of the National Academy of Sciences.

Mechanistic insights into allosteric regulation of the A2A adenosine G protein-coupled receptor by physiological cations

R. Sunahara, A. Garcia, Adnan Sljoka, 2018, Nature Communications.

How Anionic Lipids Affect Spatiotemporal Properties of KRAS4B on Model Membranes.

A. Garcia, C. Neale, Van A. Ngo, 2020, The journal of physical chemistry. B.

Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering.

A. Garcia, K. Huang, 2014, Journal of chemical theory and computation.

Fatty Acids Ubiquitously Modulate the Absorption of RRPs into a Hydrophobic Environment within a Physiological pH Range

M. C. Cardoso, A. Garcia, H. D. Herce, 2014 .

Stem-loop structures of the repetitive DNA sequences located at human centromeres

R. Moyzis, A. Garcia, R. Ratliff, 1993 .

Structural biology of disease-associated repetitive DNA sequences and protein-DNA complexes involved in DNA damage and repair

R. Moyzis, A. Garcia, E. Bradbury, 1997 .

Conformational dynamics and structural plasticity play critical roles in the ubiquitin recognition of a UIM domain.

G. Makhatadze, A. Garcia, Mayank M. Patel, 2010, Journal of molecular biology.

Discriminating early stage Aβ42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study

Zhenyu Li, Shaul Mukamel, Nikolaos G Sgourakis, 2010, Proceedings of the National Academy of Sciences.

An alpha-helical peptide in AOT micelles prefers to be localized at the water/headgroup interface.

A. Garcia, Jianhui Tian, 2009, Biophysical journal.

Pressure effects on the ensemble dynamics of ubiquitin inspected with molecular dynamics simulations and isotropic reorientational eigenmode dynamics.

Ryan Day, Nikolaos G Sgourakis, Angel E Garcia, 2008, Biophysical journal.

Concentration-dependent and configuration-dependent interactions of monovalent ions with an RNA tetraloop.

A. Garcia, J. Miner, 2018, The Journal of chemical physics.

Helix nucleation kinetics from molecular simulations in explicit solvent

G. Hummer, A. Garcia, A. E. García, 2001, Proteins.

Equilibrium study of protein denaturation by urea.

A. Garcia, D. Paschek, Deepak R. Canchi, 2010, Journal of the American Chemical Society.

Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor?

A. Garcia, R. Pomès, C. Neale, 2015, Biophysical journal.

The essential role of stacking adenines in a two-base-pair RNA kissing complex.

Daniele Fabris, Angel E. Garcia, Sean Keller, 2013, Journal of the American Chemical Society.

Structural, energetic, and dynamic responses of the native state ensemble of staphylococcal nuclease to cavity‐creating mutations

A. Garcia, B. García-Moreno E., C. Roumestand, 2013, Proteins.

Multi-basin dynamics of a protein in a crystal environment

Gerhard Hummer, Raphael Blumenfeld, Angel E. Garcia, 1997 .

Simulations of CRP:(cAMP)2 in noncrystalline environments show a subunit transition from the open to the closed conformation

A. Garcia, A E García, J G Harman, 1996, Protein science : a publication of the Protein Society.

Computation of the mean residence time of water in the hydration shells of biomolecules

Lewis Stiller, Angel E. García, A. Garcia, 1993, J. Comput. Chem..

Dynamics of DNA Oligomers: Harmonic and Anharmonic Motions

A. Garcia, 1993 .

Simulation studies of protein folding/unfolding equilibrium under polar and nonpolar confinement.

Angel E Garcia, A. Garcia, Jianhui Tian, 2011, Journal of the American Chemical Society.

Folding is not required for bilayer insertion: Replica exchange simulations of an α‐helical peptide with an explicit lipid bilayer

H. Nymeyer, A. Garcia, T. Woolf, 2004, Proteins.

Cosolvent effects on protein stability.

A. Garcia, Deepak R. Canchi, 2013, Annual review of physical chemistry.

The electrostatic surface term: (I) periodic systems.

A. Garcia, T. Darden, H. D. Herce, 2007, The Journal of chemical physics.

Variations on a theme by Debye and Waller: From simple crystals to proteins

H Frauenfelder, H. Frauenfelder, A. Garcia, 1997, Proteins.

Molecular dynamics study of water penetration in staphylococcal nuclease

Angel E García, Eaton E Lattman, Ana Damjanović, 2005, Proteins.

Microscopic model of carbon monoxide binding to myoglobin

Richard L. Martin, P. Jeffrey Hay, Angel E. Garcia, 2000 .

Studying pressure denaturation of a protein by molecular dynamics simulations

A. Garcia, T. Ghosh, S. Garde, 2010, Proteins.

From Protein Design to the Energy Landscape of a Cold Unfolding Protein

Jack B. Maguire, Jermel R. Griffin, Surya V. S. R. K. Pulavarti, 2022, The journal of physical chemistry. B.

Molecular Theories and Simulation of Ions and Polar Molecules in Water

G. Hummer, L. Pratt, A. Garcia, 1998, physics/9806023.

Remodeling of the folding free energy landscape of staphylococcal nuclease by cavity-creating mutations.

A. Garcia, C. Roumestand, C. Royer, 2012, Biochemistry.

Correction of apparent finite size effects in the area per lipid of lipid membranes simulations.

A. Garcia, H. D. Herce, 2006, The Journal of chemical physics.

Atomic Simulations of Protein Folding, Using the Replica Exchange Algorithm

Hugh Nymeyer, S Gnanakaran, Angel E García, 2004, Numerical Computer Methods, Part D.

Ion sizes and finite-size corrections for ionic-solvation free energies

G. Hummer, L. Pratt, A. Garcia, 1997, physics/9709042.

Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules

Gerhard Hummer, Bruce J. Berne, Steven W. Rick, 1997, physics/9704020.

Atomic-Level Description of Amyloid β-Dimer Formation

Ruth Nussinov, S. Gnanakaran, Angel E. Garcia, 2006 .

Water penetration and escape in proteins

G. Hummer, A. Garcia, A E García, 2000, Proteins.

Ion pair potentials-of-mean-force in water

G. Hummer, L. Pratt, A. Garcia, 1994, chem-ph/9404001.

Conformational dynamics of cytochrome c: Correlation to hydrogen exchange

G. Hummer, A. Garcia, 1999, Proteins.

Hydration of an α‐Helical peptide: comparison of theory and molecular dynamics simulation

G. Hummer, A. Garcia, A. E. García, 1997, Proteins.

V67L Mutation Fills an Internal Cavity To Stabilize RecA Mtu Intein.

A. Garcia, C. Royer, Chunyu Wang, 2017, Biochemistry.

Aß Monomers Transiently Sample Oligomer and Fibril-Like Configurations: Ensemble Characterization using a Combined MD/NMR Approach

A. Garcia, Wen Chen, Chunyu Wang, 2013 .

Mechanism of enhanced mechanical stability of a minimal RNA kissing complex elucidated by nonequilibrium molecular dynamics simulations

A. Garcia, Alan A. Chen, 2012, Proceedings of the National Academy of Sciences.

Cell Penetrating Peptides: How Do They Do It?

A. Garcia, H. D. Herce, 2007, Journal of biological physics.

Treatment of electrostatic interactions in computer simulations and calculation of thermodynamic properties such as free energies and pressures

G. Hummer, L. Pratt, A. Garcia, 1999 .

Molecular dynamics study of hydration of the protein interior

Eaton E. Lattman, Ana Damjanovic, E. BertrandGarcía-Moreno, 2005, Comput. Phys. Commun..

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

Tudor I. Oprea, Angel E. García, A. Garcia, 1996, J. Comput. Aided Mol. Des..

Effect of internal cavities on folding rates and routes revealed by real-time pressure-jump NMR spectroscopy.

A. Garcia, C. Roumestand, C. Royer, 2013, Journal of the American Chemical Society.

Water penetration in the low and high pressure native states of ubiquitin

Ryan Day, Angel E García, A. Garcia, 2008, Proteins.

Potential-of-mean-force description of ionic interactions and structural hydration in biomolecular systems

G. Hummer, A. Garcia, D. Soumpasis, 1995 .

Concentration dependence of NaCl ion distributions around DPPC lipid bilayers

A. Garcia, J. R. Rodríguez, 2011, Interdisciplinary Sciences: Computational Life Sciences.

Molecular mechanism for the preferential exclusion of TMAO from protein surfaces.

George I Makhatadze, Angel E Garcia, G. Makhatadze, 2012, The journal of physical chemistry. B.

Backbone and side-chain contributions in protein denaturation by urea.

A. Garcia, Deepak R. Canchi, 2011, Biophysical journal.

High-Resolution Mapping of a Repeat Protein Folding Free Energy Landscape.

D. Barrick, A. Garcia, C. Roumestand, 2016, Biophysical journal.

Multistate Gaussian Model for Electrostatic Solvation Free Energies

Gerhard Hummer, Angel E. Garcia, G. Hummer, 1997 .

Assessing the Contribution of Cavity Density to Protein Partial Molar Expansivity by High-Pressure NMR

A. Garcia, C. Roumestand, C. Royer, 2013 .

Alterations of Nonconserved Residues Affect Protein Stability and Folding Dynamics through Charge-Charge Interactions.

G. Makhatadze, A. Garcia, Swarnendu Tripathi, 2015, The journal of physical chemistry. B.

Penetration of HIV-1 Tat47–57 into PC/PE Bilayers Assessed by MD Simulation and X-ray Scattering

A. Garcia, C. Neale, S. Tristram-Nagle, 2015, Membranes.

Free energy of translocating an arginine-rich cell-penetrating peptide across a lipid bilayer suggests pore formation.

Angel E García, A. Garcia, Kun Huang, 2013, Biophysical journal.

Characterization of Heparin's Conformational Ensemble by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Spectroscopy.

A. Garcia, R. Linhardt, Chunyu Wang, 2022, Journal of chemical theory and computation.

Protonation/deprotonation effects on the stability of the Trp-cage miniprotein.

G. Makhatadze, A. Garcia, C. Jimenez-Cruz, 2011, Physical chemistry chemical physics : PCCP.

Backtracking due to residual structure in the unfolded state changes the folding of the third fibronectin type III domain from tenascin-C.

G. Makhatadze, A. Garcia, Swarnendu Tripathi, 2013, The journal of physical chemistry. B.

Validation of an all-atom protein force field: From dipeptides to larger peptides

S. Gnanakaran, Angel E. Garcia, A. Garcia, 2003 .

Characterization of non-alpha helical conformations in Ala peptides

Angel E. Garcia, A. Garcia, 2004 .

The solvent-dependent shift of the amide I band of a fully solvated peptide as a local probe for the solvent composition in the peptide/solvent interface.

A. Garcia, S. Gnanakaran, D. Paschek, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering

A. Garcia, K. Huang, 2014, Journal of Chemical Theory and Computation.

HIV-1 Tat membrane interactions probed using X-ray and neutron scattering, CD spectroscopy and MD simulations.

A. Garcia, J. Nagle, S. Tristram-Nagle, 2014, Biochimica et biophysica acta.

The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

G. Hummer, L. Pratt, A. Garcia, 1998, Proceedings of the National Academy of Sciences of the United States of America.

Modeling of Peptides with Classical and Novel Machine Learning Force Fields: A Comparison.

Justin S. Smith, A. Garcia, D. Rosenberger, 2021, The journal of physical chemistry. B.

Solution structures of the Huntington's disease DNA triplets, (CAG)n.

R. Moyzis, Ruilian Wu, A. Garcia, 1998, Journal of biomolecular structure & dynamics.

Large-amplitude nonlinear motions in proteins.

García, A. Garcia, 1992, Physical review letters.

Hydrophobic Effects on a Molecular Scale

G. Hummer, L. Pratt, A. Garcia, 1998, physics/9807001.

An information theory model of hydrophobic interactions.

A. Pohorille, G. Hummer, L. Pratt, 1996, Proceedings of the National Academy of Sciences of the United States of America.

The plasma membrane as a competitive inhibitor and positive allosteric modulator of KRas4B signaling

A. Garcia, C. Neale, A.E. García, 2019, bioRxiv.

Functional dynamics of the hydrophobic cleft in the N-domain of calmodulin.

A. Garcia, D. Vigil, J. Trewhella, 2001, Biophysical journal.

Folding funnels and frustration in off-lattice minimalist protein landscapes.

J. Onuchic, H. Nymeyer, A. Garcia, 1998, Proceedings of the National Academy of Sciences of the United States of America.

The energy landscape theory of protein folding: insights into folding mechanisms and scenarios.

J. Onuchic, N. Socci, H. Nymeyer, 2000, Advances in protein chemistry.

Folding and unfolding thermodynamics of the TC10b Trp-cage miniprotein.

A. Garcia, Charles A. English, 2014, Physical chemistry chemical physics : PCCP.

Local structure formation in simulations of two small proteins.

Vijay S Pande, Guha Jayachandran, Angel E García, 2007, Journal of structural biology.

Arginine-rich peptides destabilize the plasma membrane, consistent with a pore formation translocation mechanism of cell-penetrating peptides.

R. Kane, A. Garcia, A. E. García, 2009, Biophysical journal.

Reconstructing the Most Probable Folding Transition Path from Replica Exchange Molecular Dynamics Simulations.

Camilo Andres Jimenez-Cruz, Angel E Garcia, A. Garcia, 2013, Journal of chemical theory and computation.

Structure of Met‐enkephalin in explicit aqueous solution using replica exchange molecular dynamics

K. Sanbonmatsu, A. Garcia, A. E. García, 2002, Proteins.

Watson–Crick Base Pairs

A. Garcia, L. Marky, 2002 .

Equilibrium Denaturation and Preferential Interactions of an RNA Tetraloop with Urea.

Angel E García, A. Garcia, J. Miner, 2017, The journal of physical chemistry. B.

Charged Termini on the Trp-Cage Roughen the Folding Energy Landscape.

A. Garcia, Charles A. English, 2015, The journal of physical chemistry. B.

Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach.

A. Garcia, Wen Chen, Chunyu Wang, 2013, Journal of molecular biology.

Characterization of Aβ Monomers through the Convergence of Ensemble Properties among Simulations with Multiple Force Fields.

A. Garcia, Chunyu Wang, David J. Rosenman, 2016, The journal of physical chemistry. B.

Large-amplitude nonlinear motions in proteins.

A. Garcia, 1992, Physical review letters.

Equilibrium thermodynamics and folding kinetics of a short, fast-folding, beta-hairpin.

A. Garcia, C. Jimenez-Cruz, 2014, Physical chemistry chemical physics : PCCP.

Computing the stability diagram of the Trp-cage miniprotein

A. Garcia, D. Paschek, S. Hempel, 2008, Proceedings of the National Academy of Sciences.

Unusual structures of the tandem repetitive DNA sequences located at human centromeres.

R. Moyzis, A. Garcia, A. E. García, 1994, Biochemistry.

Free Energy of Ionic Hydration

Gerhard Hummer, Lawrence R. Pratt, Angel E. Garcia, 1996 .

Perturbation of local solvent structure by a small dication: a theoretical study on structural, vibrational, and reactive properties of beryllium ion in water.

B. Scott, A. Garcia, T. Mccleskey, 2008, The journal of physical chemistry. B.

HIV-1 Tat membrane interactions probed using X-ray and neutron scattering, CD spectroscopy and MD simulations.

A. Garcia, J. Nagle, S. Tristram-Nagle, 2014, Biochimica et biophysica acta.

Size and sequence and the volume change of protein folding.

D. Barrick, A. Garcia, C. Royer, 2011, Journal of the American Chemical Society.

Studying pressure denaturation of a protein by molecular dynamics simulations

A. Garcia, S. Garde, Sapna Sarupria, 2010, Proteins.

Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions

A. Garcia, S. Garde, Tuhin Ghosh, 2002 .

Molecular dynamics simulations of protein folding.

A. Garcia, 2008, Methods in molecular biology.

Efficient Schmidt number scaling in dissipative particle dynamics.

A. Garcia, Ryan C Krafnick, 2015, The Journal of chemical physics.

Interplay among tertiary contacts, secondary structure formation and side-chain packing in the protein folding mechanism: all-atom representation study of protein L.

J. Onuchic, A. Garcia, C. Clementi, 2003, Journal of molecular biology.

Molecular mechanism for the preferential exclusion of TMAO from protein surfaces.

G. Makhatadze, A. Garcia, D. Rau, 2012, The journal of physical chemistry. B.

Please, get in my way so that I can be more efficient!

A. Garcia, 2013, Biophysical journal.

Three-dimensional structure-activity relationships of steroid aromatase inhibitors

A. Garcia, 1996 .

Faculty Opinions recommendation of Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water?

Angel E. Garcia, A. Garcia, 2002 .

Effects of truncating van der Waals interactions in lipid bilayer simulations.

A. Garcia, K. Huang, 2014, The Journal of chemical physics.