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1
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Buck M, Bouguet-Bonnet S, Pastor RW, MacKerell AD.
Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme.
Biophys J 90(4): L36-8, 2006.
[Text Abstract on PubMed]
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2
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Klauda JB, Kucerka N, Brooks BR, Pastor RW, Nagle JF.
Simulation-based methods for interpreting x-ray data from lipid bilayers.
Biophys J 90(8): 2796-807, 2006.
[Text Abstract on PubMed]
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3
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Klauda JB, Brooks BR, MacKerell AD, Venable RM, Pastor RW.
An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer.
J Phys Chem B Condens Matter Mater Surf Interfaces Biophys 109(11): 5300-11, 2005.
[Text Abstract on PubMed]
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4
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Klauda JB, Pastor RW, Brooks BR.
Adjacent gauche stabilization in linear alkanes: implications for polymer models and conformational analysis.
J Phys Chem B Condens Matter Mater Surf Interfaces Biophys 109(33): 15684-6, 2005.
[Text Abstract on PubMed]
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5
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Lagüe P, Roux B, Pastor RW.
Molecular dynamics simulations of the influenza hemagglutinin fusion peptide in micelles and bilayers: conformational analysis of peptide and lipids.
J Mol Biol 354(5): 1129-41, 2005.
[Text Abstract on PubMed]
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6
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Skibinsky A, Venable RM, Pastor RW.
A molecular dynamics study of the response of lipid bilayers and monolayers to trehalose.
Biophys J 89(6): 4111-21, 2005.
[Text Abstract on PubMed]
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7
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Freedberg DI, Venable RM, Rossi A, Bull TE, Pastor RW.
Discriminating the helical forms of peptides by NMR and molecular dynamics simulation.
J Am Chem Soc 126(33): 10478-84, 2004.
[Text Abstract on PubMed]
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8
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Dixon AM, Venable R, Widmalm G, Bull TE, Pastor RW.
Application of NMR, molecular simulation, and hydrodynamics to conformational analysis of trisaccharides.
Biopolymers 69(4): 448-60, 2003.
[Text Abstract on PubMed]
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9
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Dixon AM, Venable RM, Pastor RW, Bull TE.
Micelle-bound conformation of a hairpin-forming peptide: combined NMR and molecular dynamics study.
Biopolymers 65(4): 284-98, 2002.
[Text Abstract on PubMed]
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10
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Dolan EA, Venable RM, Pastor RW, Brooks BR.
Simulations of membranes and other interfacial systems using P2(1) and Pc periodic boundary conditions.
Biophys J 82(5): 2317-25, 2002.
[Text Abstract on PubMed]
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11
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Pastor RW, Venable RM, Feller SE.
Lipid bilayers, NMR relaxation, and computer simulations.
Acc Chem Res 35(6): 438-46, 2002.
[Text Abstract on PubMed]
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12
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Goldstein JS, Chen T, Gubina E, Pastor RW, Kozlowski S.
ICAM-1 enhances MHC-peptide activation of CD8(+) T cells without an organized immunological synapse.
Eur J Immunol 30(11): 3266-70, 2000.
[Text Abstract on PubMed]
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13
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Copié V, Tomita Y, Akiyama SK, Aota S, Yamada KM, Venable RM, Pastor RW, Krueger S, Torchia DA.
Solution structure and dynamics of linked cell attachment modules of mouse fibronectin containing the RGD and synergy regions: comparison with the human fibronectin crystal structure.
J Mol Biol 277(3): 663-82, 1998.
[Text Abstract on PubMed]
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14
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Feller SE, Pastor RW.
Length scales of lipid dynamics and molecular dynamics.
Pac Symp Biocomput: 142-50, 1997.
[Text Abstract on PubMed]
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15
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Feller SE, Yin D, Pastor RW, MacKerell AD.
Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies.
Biophys J 73(5): 2269-79, 1997.
[Text Abstract on PubMed]
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16
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Feller SE, Pastor RW.
On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.
Biophys J 71(3): 1350-5, 1996.
[Text Abstract on PubMed]
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17
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Brown ML, Venable RM, Pastor RW.
A method for characterizing transition concertedness from polymer dynamics computer simulations.
Biopolymers 35(1): 31-46, 1995.
[Text Abstract on PubMed]
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18
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Venable RM, Zhang Y, Hardy BJ, Pastor RW.
Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity.
Science 262(5131): 223-6, 1993.
[Text Abstract on PubMed]
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19
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Barbato G, Ikura M, Kay LE, Pastor RW, Bax A.
Backbone dynamics of calmodulin studied by 15N relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible.
Biochemistry 31(23): 5269-78, 1992.
[Text Abstract on PubMed]
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20
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Venable RM, Widmalm G, Brooks BR, Egan W, Pastor RW.
Conformational states of a TT mismatch from molecular dynamics simulation of duplex d (CGCGATTCGCG).
Biopolymers 32(7): 783-94, 1992.
[Text Abstract on PubMed]
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21
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De Loof H, Harvey SC, Segrest JP, Pastor RW.
Mean field stochastic boundary molecular dynamics simulation of a phospholipid in a membrane.
Biochemistry 30(8): 2099-113, 1991.
[Text Abstract on PubMed]
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22
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Pastor RW, Venable RM, Karplus M.
Model for the structure of the lipid bilayer.
Proc Natl Acad Sci U S A 88(3): 892-6, 1991.
[Text Abstract on PubMed]
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23
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Pollard HB, Rojas E, Pastor RW, Rojas EM, Guy HR, Burns AL.
Synexin: molecular mechanism of calcium-dependent membrane fusion and voltage-dependent calcium-channel activity. Evidence in support of the "hydrophobic bridge hypothesis" for exocytotic membrane fusion.
Ann N Y Acad Sci 635: 328-51, 1991.
[Text Abstract on PubMed]
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24
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Venable RM, Pastor RW, Brooks BR, Carson FW.
Theoretically determined three-dimensional structures for amphipathic segments of the HIV-1 gp41 envelope protein.
AIDS Res Hum Retroviruses 5(1): 7-22, 1989.
[Text Abstract on PubMed]
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25
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Venable RM, Pastor RW.
Frictional models for stochastic simulations of proteins.
Biopolymers 27(6): 1001-14, 1988.
[Text Abstract on PubMed]
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26
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Brooks BR, Pastor RW, Carson FW.
Theoretically determined three-dimensional structure for the repeating tetrapeptide unit of the circumsporozoite coat protein of the malaria parasite Plasmodium falciparum.
Proc Natl Acad Sci U S A 84(13): 4470-4, 1987.
[Text Abstract on PubMed]
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27
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Lipman DJ, Pastor RW, Lee B.
Local sequence patterns of hydrophobicity and solvent accessibility in soluble globular proteins.
Biopolymers 26(1): 17-26, 1987.
[Text Abstract on PubMed]
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28
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Stollar BD, Zon G, Pastor RW.
A recognition site on synthetic helical oligonucleotides for monoclonal anti-native DNA autoantibody.
Proc Natl Acad Sci U S A 83(12): 4469-73, 1986.
[Text Abstract on PubMed]
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