Preston B. Moore - Publications

Affiliations: 
Chemistry University of the Sciences in Philadelphia 
Area:
Inorganic Chemistry, Physical Chemistry, Computer Science
Website:
https://faculty.usciences.edu/faculty/moore-preston

56 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Miller WA, Moore PB. Computational Study of Intramolecular Heterocyclic Ring Formation with Cyclic Phosphazenes. International Journal of Engineering Research & Technology (Ahmedabad). 3: 1575-1582. PMID 26702403  1
2014 Miller WA, Moore PB. A QUANTUM MECHANICAL STUDY OF STRUCTURAL AND ELECTRONIC DILUTION EFFECTS IN PARAMAGNETIC CHEMICAL EXCHANGE SATURATION TRANSFER AGENTS. Journal of Organic and Biomolecular Simulations. 1: 1-13. PMID 25485283 DOI: 10.3844/jobsp.2014.1.13  1
2013 Nguyen TH, Liu Z, Moore PB. Molecular dynamics simulations of homo-oligomeric bundles embedded within a lipid bilayer. Biophysical Journal. 105: 1569-80. PMID 24094398 DOI: 10.1016/J.Bpj.2013.07.053  1
2012 Green AJ, Perry A, Moore PB, Space B. A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 124108. PMID 22395178 DOI: 10.1088/0953-8984/24/12/124108  1
2012 Chiu CC, Devane RH, Klein ML, Shinoda W, Moore PB, Nielsen SO. Effect of carboxylation on carbon nanotube aqueous dispersibility: A predictive coarse-grained molecular dynamics approach Journal of Physical Chemistry C. 116: 23102-23106. DOI: 10.1021/Jp307545M  1
2011 Liu Z, Ensing B, Moore PB. Quantitative Assessment of Force Fields on Both Low-Energy Conformational Basins and Transition-State Regions of the (ϕ-ψ) Space. Journal of Chemical Theory and Computation. 7: 402-19. PMID 26596162 DOI: 10.1021/Ct100395N  1
2011 Pantano DA, Klein ML, Discher DE, Moore PB. Morphologies of charged diblock copolymers simulated with a neutral coarse-grained model. The Journal of Physical Chemistry. B. 115: 4689-95. PMID 21462939 DOI: 10.1021/Jp201085C  1
2011 Nielsen SO, Moore PB, Ensing B. Nielsen, Moore, and Ensing reply: Physical Review Letters. 107. DOI: 10.1103/Physrevlett.107.099802  1
2011 Pantano DA, Moore PB, Klein ML, Discher DE. Raft registration across bilayers in a molecularly detailed model Soft Matter. 7: 8182-8191. DOI: 10.1039/C1Sm05490B  1
2011 Liu Z, Ensing B, Moore PB. Quantitative assessment of force fields on both low-energy conformational basins and transition-state regions of the (ø-ψ) space Journal of Chemical Theory and Computation. 7: 402-419. DOI: 10.1021/ct100395n  1
2010 Nielsen SO, Moore PB, Ensing B. Adaptive multiscale molecular dynamics of macromolecular fluids. Physical Review Letters. 105: 237802. PMID 21231504 DOI: 10.1103/Physrevlett.105.237802  1
2010 DeVane R, Jusufi A, Shinoda W, Chiu CC, Nielsen SO, Moore PB, Klein ML. Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids. The Journal of Physical Chemistry. B. 114: 16364-72. PMID 21090655 DOI: 10.1021/Jp1070264  1
2010 Nielsen SO, Bulo RE, Moore PB, Ensing B. Recent progress in adaptive multiscale molecular dynamics simulations of soft matter. Physical Chemistry Chemical Physics : Pccp. 12: 12401-14. PMID 20734007 DOI: 10.1039/C004111D  1
2010 Nguyen TH, Rao NZ, Schroeder WM, Moore PB. Coarse-grained molecular dynamics of tetrameric transmembrane peptide bundles within a lipid bilayer. Chemistry and Physics of Lipids. 163: 530-7. PMID 20433819 DOI: 10.1016/J.Chemphyslip.2010.04.007  1
2010 Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO. Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes. The Journal of Physical Chemistry. B. 114: 6394-400. PMID 20426450 DOI: 10.1021/Jp9117375  1
2010 DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data. The Journal of Physical Chemistry. B. 114: 6386-93. PMID 20426449 DOI: 10.1021/Jp9117369  1
2010 Chiu CC, Ranatunga RJ, Torres Flores D, Pérez DV, Moore PB, Shinoda W, Nielsen SO. A mean field approach for computing solid-liquid surface tension for nanoscale interfaces. The Journal of Chemical Physics. 132: 054706. PMID 20136332 DOI: 10.1063/1.3308625  1
2009 Devane R, Shinoda W, Moore PB, Klein ML. A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids. Journal of Chemical Theory and Computation. 5: 2115-2124. PMID 20161179  1
2009 Chiu CC, Moore PB, Shinoda W, Nielsen SO. Size-dependent hydrophobic to hydrophilic transition for nanoparticles: a molecular dynamics study. The Journal of Chemical Physics. 131: 244706. PMID 20059098 DOI: 10.1063/1.3276915  1
2009 Kalescky RJ, Shinoda W, Moore PB, Nielsen SO. Area per ligand as a function of nanoparticle radius: a theoretical and computer simulation approach. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 1352-9. PMID 19138068 DOI: 10.1021/La8032918  1
2009 Devane R, Shinoda W, Moore PB, Klein ML. Transferable coarse grain nonbonded interaction model for amino acids Journal of Chemical Theory and Computation. 5: 2115-2124. DOI: 10.1021/ct800441u  1
2009 Vázquez UOM, Shinoda W, Moore PB, Chiu CC, Nielsen SO. Calculating the surface tension between a flat solid and a liquid: A theoretical and computer simulation study of three topologically different methods Journal of Mathematical Chemistry. 45: 161-174. DOI: 10.1007/S10910-008-9374-7  1
2007 Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics. Journal of Chemical Theory and Computation. 3: 1100-5. PMID 26627429 DOI: 10.1021/Ct600323N  1
2007 Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy conservation in adaptive hybrid atomistic/coarse-grain molecular dynamics Journal of Chemical Theory and Computation. 3: 1100-1105. DOI: 10.1021/ct600323n  1
2007 Nielsen SO, Ensing B, Moore PB, Klein ML. Coarse Grained-to-Atomistic Mapping Algorithm: A Tool for Multiscale Simulations Multiscale Simulation Methods For Nanomaterials. 73-88. DOI: 10.1002/9780470191675.ch5  1
2006 Perry A, Neipert C, Space B, Moore PB. Theoretical modeling of interface specific vibrational spectroscopy: methods and applications to aqueous interfaces. Chemical Reviews. 106: 1234-58. PMID 16608179 DOI: 10.1021/cr040379y  1
2006 Napoleon RL, Moore PB. Structural characterization of interfacial n-octanol and 3-octanol using molecular dynamic simulations. The Journal of Physical Chemistry. B. 110: 3666-73. PMID 16494422 DOI: 10.1021/Jp054933Z  1
2006 Srinivas G, Nielsen SO, Moore PB, Klein ML. Molecular dynamics simulations of surfactant self-organization at a solid-liquid interface. Journal of the American Chemical Society. 128: 848-53. PMID 16417374 DOI: 10.1021/Ja054846K  1
2006 Ensing B, De Vivo M, Liu Z, Moore P, Klein ML. Metadynamics as a tool for exploring free energy landscapes of chemical reactions Accounts of Chemical Research. 39: 73-81. DOI: 10.1021/ar040198i  1
2005 Perry A, Neipert C, Kasprzyk CR, Green T, Space B, Moore PB. A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface. The Journal of Chemical Physics. 123: 144705. PMID 16238414 DOI: 10.1063/1.2046630  1
2005 Perry A, Neipert C, Ridley C, Space B, Moore PB. Identification of a wagging vibrational mode of water molecules at the water/vapor interface. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 050601. PMID 16089512 DOI: 10.1103/Physreve.71.050601  1
2005 Nielsen SO, Ensing B, Ortiz V, Moore PB, Klein ML. Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study. Biophysical Journal. 88: 3822-8. PMID 15778436 DOI: 10.1529/Biophysj.104.057703  1
2005 Lopez CF, Nielsen SO, Ensing B, Moore PB, Klein ML. Structure and dynamics of model pore insertion into a membrane. Biophysical Journal. 88: 3083-94. PMID 15722425 DOI: 10.1529/Biophysj.104.053769  1
2004 Nielsen SO, Lopez CF, Ivanov I, Moore PB, Shelley JC, Klein ML. Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics. Biophysical Journal. 87: 2107-15. PMID 15454415 DOI: 10.1529/Biophysj.104.040311  1
2004 Lopez CF, Nielsen SO, Moore PB, Klein ML. Understanding nature's design for a nanosyringe. Proceedings of the National Academy of Sciences of the United States of America. 101: 4431-4. PMID 15070735 DOI: 10.1073/Pnas.0400352101  1
2004 Roney AB, Space B, Castner EW, Napoleon RL, Moore PB. A molecular dynamics study of aggregation phenomena in aqueous n-propanol Journal of Physical Chemistry B. 108: 7389-7401. DOI: 10.1021/Jp037922J  1
2004 Moore PB, Napoleon RL. Interfacial characterization of n-octanol and 3-octanol using molecular dynamic (MD) simulations Acs National Meeting Book of Abstracts. 228: PHYS-374.  1
2003 DeVane R, Ridley C, Larsen RW, Space B, Moore PB, Chan SI. A molecular dynamics method for calculating molecular volume changes appropriate for biomolecular simulation. Biophysical Journal. 85: 2801-7. PMID 14581185 DOI: 10.1016/S0006-3495(03)74703-1  1
2003 Perry A, Ahlborn H, Space B, Moore PB. A combined time correlation function and instantaneous normal mode study of the sum frequency generation spectroscopy of the water/vapor interface Journal of Chemical Physics. 118: 8411-8419. DOI: 10.1063/1.1565994  1
2002 Lopez CF, Montal M, Blasie JK, Klein ML, Moore PB. Molecular dynamics investigation of membrane-bound bundles of the channel-forming transmembrane domain of viral protein U from the human immunodeficiency virus HIV-1. Biophysical Journal. 83: 1259-67. PMID 12202353 DOI: 10.1016/S0006-3495(02)73898-8  1
2002 Lopez CF, Nielsen SO, Moore PB, Shelley JC, Klein ML. Self-assembly of a phospholipid Langmuir monolayer using coarse-grained molecular dynamics simulations Journal of Physics Condensed Matter. 14: 9431-9444. DOI: 10.1088/0953-8984/14/40/327  1
2002 Lopez CF, Moore PB, Shelley JC, Shelley MY, Klein ML. Computer simulation studies of biomembranes using a coarse grain model Computer Physics Communications. 147: 1-6. DOI: 10.1016/S0010-4655(02)00195-9  1
2002 Moore PB, Ahlborn H, Space B. A combined time correlation function and instantaneous normal mode investigation of liquid-state vibrational spectroscopy Acs Symposium Series. 820: 30-42.  1
2001 Moore PB, Lopez CF, Klein ML. Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation. Biophysical Journal. 81: 2484-94. PMID 11606264 DOI: 10.1016/S0006-3495(01)75894-8  1
2000 Newns DM, Zhong Q, Moore PB, Husslein T, Pattnaik P, Klein ML. Molecular dynamics study of structure and gating of low molecular weight ion channels Parallel Computing. 26: 965-976. DOI: 10.1016/S0167-8191(00)00021-1  1
2000 Ji X, Ahlborn H, Space B, Moore PB. A theoretical investigation of the temperature dependence of the optical Kerr effect and Raman spectroscopy of liquid CS2 Journal of Chemical Physics. 113: 8693-8699.  1
2000 Ahlborn H, Space B, Moore PB. The effect of isotopic substitution and detailed balance on the infrared spectroscopy of water: A combined time correlation function and instantaneous normal mode analysis Journal of Chemical Physics. 112: 8083-8088.  1
1998 Husslein T, Moore PB, Zhong Q, Newns DM, Pattnaik PC, Klein ML. Molecular dynamics simulation of a hydrated diphytanol phosphatidylcholine lipid bilayer containing an alpha-helical bundle of four transmembrane domains of the influenza A virus M2 protein. Faraday Discussions. 201-8; discussion 22. PMID 10822610 DOI: 10.1039/A806675B  1
1998 Zhong Q, Husslein T, Moore PB, Newns DM, Pattnaik P, Klein ML. The M2 channel of influenza A virus: A molecular dynamics study Febs Letters. 434: 265-271. PMID 9742936 DOI: 10.1016/S0014-5793(98)00988-0  1
1998 Moore PB, Zhong Q, Husslein T, Klein ML. Simulation of the HIV-1 Vpu transmembrane domain as a pentameric bundle Febs Letters. 431: 143-148. PMID 9708891 DOI: 10.1016/S0014-5793(98)00714-5  1
1998 Zhong Q, Moore PB, Newns DM, Klein ML. Molecular dynamics study of the LS3 voltage-gated ion channel Febs Letters. 427: 267-270. PMID 9607325 DOI: 10.1016/S0014-5793(98)00304-4  1
1998 Zhong Q, Jiang Q, Moore PB, Newns DM, Klein ML. Molecular dynamics simulation of a synthetic ion channel Biophysical Journal. 74: 3-10. PMID 9449304 DOI: 10.1016/S0006-3495(98)77761-6  1
1998 Husslein T, Newns DM, Pattnaik PC, Zhong Q, Moore PB, Klein ML. Constant pressure and temperature molecular-dynamics simulation of the hydrated diphytanolphosphatidylcholine lipid bilayer Journal of Chemical Physics. 109: 2826-2832. DOI: 10.1063/1.476835  1
1998 Kinugawa K, Moore PB, Klein ML. Centroid path integral molecular-dynamics studies of a para-hydrogen slab containing a lithium impurity Journal of Chemical Physics. 109: 610-617. DOI: 10.1063/1.476598  1
1998 Moore PB, Ji X, Ahlborn H, Space B. An instantaneous normal mode theory of condensed phase absorption: The vibrational spectrum of condensed CS 2 from boiling to freezing Chemical Physics Letters. 296: 259-265.  1
1997 Kinugawa K, Moore PB, Klein ML. Centroid path integral molecular dynamics simulation of lithium para-hydrogen clusters Journal of Chemical Physics. 106: 1154-1169.  1
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