P. Moore

发表

Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation.

Carlos F. Lopez, M. Klein, P. Moore, 2001, Biophysical journal.

Computer simulation studies of biomembranes using a coarse grain model

M. Klein, Mee Shelley, P. Moore, 2002 .

The effect of isotopic substitution and detailed balance on the infrared spectroscopy of water: A combined time correlation function and instantaneous normal mode analysis

P. Moore, Brian Space, H. Ahlborn, 2000 .

Coordinated Responsive Arrays of Surface-Linked Polymer Islands-CORALs.

P. Moore, A. Sidorenko, D. Smilgies, 2018, ACS applied materials & interfaces.

Understanding nature's design for a nanosyringe.

Michael L Klein, Carlos F. Lopez, Preston B Moore, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Structure and dynamics of model pore insertion into a membrane.

Bernd Ensing, Michael L Klein, Carlos F. Lopez, 2005, Biophysical journal.

A molecular dynamics study of aggregation phenomena in aqueous n-propanol

E. Castner, P. Moore, Brian Space, 2004 .

Size-dependent hydrophobic to hydrophilic transition for nanoparticles: a molecular dynamics study.

Wataru Shinoda, Preston B Moore, Steven O Nielsen, 2009, The Journal of chemical physics.

Coarse-grained molecular dynamics of tetrameric transmembrane peptide bundles within a lipid bilayer.

P. Moore, T. Nguyen, Niny Z Rao, 2010, Chemistry and physics of lipids.

Centroid path integral molecular-dynamics studies of a para-hydrogen slab containing a lithium impurity

M. Klein, P. Moore, K. Kinugawa, 1998 .

An instantaneous normal mode theory of condensed phase absorption: the vibrational spectrum of condensed CS2 from boiling to freezing

P. Moore, Brian Space, H. Ahlborn, 1998 .

Self-assembly of a phospholipid Langmuir monolayer using coarse-grained molecular dynamics simulations

Carlos F. Lopez, M. Klein, P. Moore, 2002 .

Molecular Dynamics Investigations of Lipid Langmuir Monolayers Using a Coarse-Grain Model

M. Klein, P. Moore, C. F. Lopez, 2003 .

Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics.

Carlos F. Lopez, M. Klein, P. Moore, 2004, Biophysical journal.

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.

M. Klein, P. Pattnaik, D. Newns, 1998, Faraday discussions.

A molecular dynamics study of electronic absorption line broadening in high‐pressure nonpolar gases

P. Moore, E. Jacobsen, L. Ziegler, 1995 .

Surfactant Aggregation at a Hydrophobic Surface

M. Klein, P. Moore, S. Bandyopadhyay, 1998 .

Identification of a wagging vibrational mode of water molecules at the water/vapor interface.

P. Moore, Brian Space, Angela Perry, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

A theoretical investigation of the temperature dependence of the optical Kerr effect and Raman spectroscopy of liquid CS2

P. Moore, Brian Space, H. Ahlborn, 2000 .

An instantaneous normal mode theory of condensed phase absorption: The collision-induced absorption spectra of liquid CO2

P. Moore, Brian Space, 1997 .

Computational Study of Intramolecular Heterocyclic Ring Formation with Cyclic Phosphazenes

P. Moore, Whelton A. Miller, 2014, International journal of engineering research & technology.

Morphologies of charged diblock copolymers simulated with a neutral coarse-grained model.

M. Klein, D. Discher, P. Moore, 2011, The journal of physical chemistry. B.

Theoretical modeling of interface specific vibrational spectroscopy: methods and applications to aqueous interfaces.

P. Moore, Brian Space, Angela Perry, 2006, Chemical reviews.

A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface

P. Moore, Brian Space, A. Green, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

The low frequency density of states and vibrational population dynamics of polyatomic molecules in liquids

T. Keyes, A. Tokmakoff, P. Moore, 1995 .

Hydrogen Bonding Structure and Dynamics of Water at the Dimyristoylphosphatidylcholine Lipid Bilayer Surface from a Molecular Dynamics Simulation

M. Klein, P. Moore, C. F. Lopez, 2004 .

A QUANTUM MECHANICAL STUDY OF STRUCTURAL AND ELECTRONIC DILUTION EFFECTS IN PARAMAGNETIC CHEMICAL EXCHANGE SATURATION TRANSFER AGENTS.

P. Moore, Whelton A. Miller, 2014, Journal of organic and biomolecular simulations.

Effect of carboxylation on carbon nanotube aqueous dispersibility: A predictive coarse-grained molecular dynamics approach

M. Klein, P. Moore, W. Shinoda, 2012 .

Recent progress in adaptive multiscale molecular dynamics simulations of soft matter.

Bernd Ensing, Preston B Moore, Rosa E Bulo, 2010, Physical chemistry chemical physics : PCCP.

A combined instantaneous normal mode and time correlation function description of the optical Kerr effect and Raman spectroscopy of liquid CS2

P. Moore, Brian Space, L. Ziegler, 2000 .

Molecular dynamics simulation of a synthetic ion channel.

M. Klein, D. Newns, P. Moore, 1998, Biophysical journal.

A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface.

Preston B Moore, Tony Green, P. Moore, 2005, The Journal of chemical physics.

Molecular dynamics simulations of surfactant self-organization at a solid-liquid interface.

M. Klein, P. Moore, S. Nielsen, 2006, Journal of the American Chemical Society.

Normal mode analysis of liquid CS2: Velocity correlation functions and self‐diffusion constants

T. Keyes, P. Moore, 1994 .

Centroid path integral molecular dynamics simulation of lithium para-hydrogen clusters

M. Klein, P. Moore, K. Kinugawa, 1997 .

Raft registration across bilayers in a molecularly detailed model

M. Klein, D. Discher, P. Moore, 2011 .

Simulation of the HIV‐1 Vpu transmembrane domain as a pentameric bundle

M. Klein, P. Moore, T. Husslein, 1998, FEBS letters.

Constant pressure and temperature molecular-dynamics simulation of the hydrated diphytanolphosphatidylcholine lipid bilayer

M. Klein, P. Pattnaik, D. Newns, 1998 .

Calculating the surface tension between a flat solid and a liquid: a theoretical and computer simulation study of three topologically different methods

P. Moore, W. Shinoda, S. Nielsen, 2009 .

Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study.

Bernd Ensing, Michael L Klein, Preston B Moore, 2005, Biophysical journal.

Feasibility of using photophoresis to create a concentration gradient of solvated molecules

Preston B. Moore, Herschel Rabitz, H. Rabitz, 1996 .

A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.

Wataru Shinoda, Michael L Klein, Russell Devane, 2009, Journal of chemical theory and computation.

Metadynamics as a tool for exploring free energy landscapes of chemical reactions.

Preston Moore, Bernd Ensing, Marco De Vivo, 2006, Accounts of chemical research.

The M2 channel of influenza A virus: a molecular dynamics study

M. Klein, P. Pattnaik, D. Newns, 1998, FEBS letters.

Molecular dynamics study of the LS3 voltage‐gated ion channel

M. Klein, D. Newns, P. Moore, 1998, FEBS letters.

A combined instantaneous normal mode and time correlation function description of the infrared vibrational spectrum of ambient water

P. Moore, Brian Space, H. Ahlborn, 1999 .

A mean field approach for computing solid-liquid surface tension for nanoscale interfaces.

P. Moore, W. Shinoda, S. Nielsen, 2010, The Journal of chemical physics.

A molecular dynamics method for calculating molecular volume changes appropriate for biomolecular simulation.

P. Moore, Brian Space, R. Larsen, 2003, Biophysical journal.

Molecular dynamics investigation of membrane-bound bundles of the channel-forming transmembrane domain of viral protein U from the human immunodeficiency virus HIV-1.

Carlos F. Lopez, M. Klein, P. Moore, 2002, Biophysical journal.

A combined time correlation function and instantaneous normal mode study of the sum frequency generation spectroscopy of the water/vapor interface

Preston B. Moore, P. Moore, Brian Space, 2003 .

Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics.

Michele Parrinello, Bernd Ensing, Michael L Klein, 2007, Journal of chemical theory and computation.

Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.

M. Klein, P. Moore, W. Shinoda, 2010, The journal of physical chemistry. B.

Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.

Wataru Shinoda, Russell DeVane, Michael L Klein, 2010, The journal of physical chemistry. B.

Densely Packed Tethered Polymer Nanoislands: A Simulation Study

P. Moore, A. Sidorenko, O. Davydovich, 2021, Polymers.

Adaptive multiscale molecular dynamics of macromolecular fluids.

Bernd Ensing, Preston B Moore, Steven O Nielsen, 2010, Physical review letters.

Molecular dynamics simulations of homo-oligomeric bundles embedded within a lipid bilayer.

P. Moore, T. Nguyen, Zhiwei Liu, 2013, Biophysical journal.

Morphologies of charged diblock copolymers simulated with a neutral coarse-grained model.

M. Klein, D. Discher, P. Moore, 2011, The journal of physical chemistry. B.

A theoretical study of the sum frequency vibrational spectroscopy of the carbon tetrachloride/water interface

P. Moore, Brian Space, A. Green, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.

Wataru Shinoda, Russell DeVane, Michael L Klein, 2010, The journal of physical chemistry. B.