Journal Articles

1. Gorfe AA, Baron R and McCammon JA
   Water-membrane partition thermodynamics of a lipopeptide: An enthalpy driven hydrophobic effect Submitted    
2. Babkhani A, Gorfe AA, Kim J and McCammon JA
   Thermodynamics of peptide insertion and aggregation in a lipid bilayer Submitted    
3. *Gorfe AA, *Grant B and McCammon JA
   Mapping the nucleotide and isoform dependent structural and dynamical features of Ras proteins Structure (in press, 2008)    
4. Abankwa D, Hanzal-Bayer M, Ariotti N, Plowman SJ, Gorfe AA, Parton RG, McCammon JA, Hancock JF,
   A novel switch region regulates H-ras membrane orientation and signal output The EMBO Journal, 1-9, (2008)     link
5. *Gorfe AA, *Chang CA, Ivanov I and McCammon JA
   Dynamics of the acetylcholinesterase tetramer Biophys J., 94,1144-1154 (2008)     link (open access), Suppl. Mat.
6. Gorfe AA, Babakhani A and McCammon JA
   H-ras Protein in a Bilayer: Interaction and Structure Perturbation J. Am. Chem. Soc. 129, 12280-12286 (2007)    link (open access),doi, Suppl. Mat.
7. Gorfe AA, Babakhani A and McCammon JA
   Free Energy Profile of H-ras Membrane Anchor upon Membrane Insertion Angew. Chem. Int. Ed. 46, 8234-8237 (2007)    link,doi, Suppl. Mat.
8. Abankwa D, Gorfe AA, Hancock JF
   Ras nanoclusters : molecular structure and assembly (Review) Sem. Cell Dev. Biol. 18, 599-607 (2007)     doi
9. Gorfe AA and Caflisch A.
   Ser170 controls the conformational multiplicity of the 166-175 loop in prion proteins: Implication for conversion and species barrier FASEB J,  21,3279-3287 (2007)    [pdf] [supplementary data]
10. Babakhani A, Gorfe AA, Gullingsrud J, Kim J and McCammon JA.
    Peptide Insertion, Positioning, and Stabilization in a Membrane: Insight From an All-Atom Molecular Dynamics Simulation Biopolymers,   85(5-6):490-497  (2007). [pdf]
11. Gorfe AA, Hanzal-Bayer M, Abankwa D, Hancock JF and McCammon JA.
    Structure and dynamics of the foll-length lipid-modified H-Ras protein in complex with a DMPC bilayer. J. Med.Chem.,   50(4):674-84  (2007).[pdf]
    (This paper has been recommended as: Must Read F1000 Factor 6.0 )
    
12. Gorfe AA and Caflisch A.
    Functional plasticity in the substrate binding site of beta-secretase (BACE). Structure,   13:1487-1498   (2005).[pdf]
13. Gorfe AA, Pellarin R and Caflisch A.
    Membrane localization and flexibility of a lipidated ras peptide studied by molecular dynamics simolations. J. Am. Chem. Soc.,   126(46):15277-15286   (2004).[pdf]
14. Gorfe AA, Caflisch A, Jelesarov I.
    The role of flexibility and hydration on the sequence-specific DNA recognition by the Tn916 integrase protein: a molecular dynamics analysis. J Mol Recognit.,  17(2): 120-31  (2004).[pdf]
15. Gorfe AA, Jelesarov I.
    Energetics of sequence-specific protein-DNA association: computational analysis of integrase Tn916 binding to its target DNA. Biochemistry,  42(40):11568-76  (2003).[pdf]
16. Milev S, Gorfe AA, Karshikoff A, Clubb RT, Bosshard HR, Jelesarov I.
    Energetics of sequence-specific protein-DNA association: conformational stability of the DNA binding domain of integrase Tn916 and its cognate DNA duplex. Biochemistry,  42(12):3492-502  (2003).[pdf]
17. Milev S, Gorfe AA, Karshikoff A, Clubb RT, Bosshard HR, Jelesarov I.
    Energetics of sequence-specific protein-DNA association: binding of integrase Tn916 to its target DNA. Biochemistry,  42(12):3481-91  (2003).[pdf]
18. Phelan P, Gorfe AA, Jelesarov I, Marti DN, Warwicker J, Bosshard HR.
    Salt bridges destabilize a leucine zipper designed for maximized ion pairing between helices. Biochemistry,  41(9):2998-3008  (2002).[pdf]
19. Gorfe AA, Ferrara P, Caflisch A, Marti DN, Bosshard HR, Jelesarov I.
    Calculation of protein ionization equilibria with conformational sampling: pK(a) of a model leucine zipper, GCN4 and barnase. Proteins,  46(1):41-60  (2002).[pdf]
20. Gorfe AA, Brandsdal BO, Leiros HK, Helland R, Smalas AO.
    Electrostatics of mesophilic and psychrophilic trypsin isoenzymes: qualitative evaluation of electrostatic differences at the substrate binding site. Proteins,  40(2):207-17  (2000).[pdf]