Richard W. Pastor

Research interests

Publications

• Molecular Dynamics Simulations of Membrane Permeability

  Chemical Reviews · 2019 · 10.1021/acs.chemrev.8b00486

• Mechanical properties of lipid bilayers from molecular dynamics simulation

  Chemistry and Physics of Lipids · 2015 · 10.1016/j.chemphyslip.2015.07.014

• Simulations of Anionic Lipid Membranes: Development of Interaction-Specific Ion Parameters and Validation Using NMR Data

  The Journal of Physical Chemistry B · 2013 · 10.1021/jp401512z

• The Molecular Structure of the Liquid-Ordered Phase of Lipid Bilayers

  Journal of the American Chemical Society · 2013 · 10.1021/ja4105667

• Development of the CHARMM Force Field for Lipids

  The Journal of Physical Chemistry Letters · 2011 · 10.1021/jz200167q

• Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

  The Journal of Physical Chemistry B · 2010 · https://doi.org/10.1021/jp101759q

• A Coarse-Grained Model for Polyethylene Oxide and Polyethylene Glycol: Conformation and Hydrodynamics

  The Journal of Physical Chemistry B · 2009 · 10.1021/jp9058966

• CHARMM: The biomolecular simulation program

  Journal of Computational Chemistry · 2009 · https://doi.org/10.1002/jcc.21287

• CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

  Journal of Chemical Theory and Computation · 2009 · 10.1021/ct900242e

• Additive empirical force field for hexopyranose monosaccharides

  Journal of Computational Chemistry · 2008 · 10.1002/jcc.21004

• Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol: Hydrodynamic Radius and Shape Anisotropy

  Biophysical Journal · 2008 · 10.1529/biophysj.108.133025

• Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

  Journal of Chemical Theory and Computation · 2007 · 10.1021/ct600350s

• An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer

  The Journal of Physical Chemistry B · 2005 · 10.1021/jp0468096

• Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen Lysozyme

  Biophysical Journal · 2005 · 10.1529/biophysj.105.078154

• Rotational Diffusion Anisotropy of Human Ubiquitin from 15N NMR Relaxation

  Biological Magnetic Resonance Bank · 2005 · 10.13018/bmr6470

• Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities

  The Journal of Chemical Physics · 1999 · 10.1063/1.479313

• Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies

  Biophysical Journal · 1997 · 10.1016/s0006-3495(97)78259-6

• Effect of Electrostatic Force Truncation on Interfacial and Transport Properties of Water

  The Journal of Physical Chemistry · 1996 · 10.1021/jp9614658

• Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water

  The Journal of Chemical Physics · 1995 · 10.1063/1.469927

• Constant pressure molecular dynamics simulation: The Langevin piston method

  The Journal of Chemical Physics · 1995 · https://doi.org/10.1063/1.470648

• Rotational diffusion anisotropy of human ubiquitin from 15N NMR relaxation

  Journal of the American Chemical Society · 1995 · 10.1021/ja00155a020

• Molecular Dynamics Simulations of a Lipid Bilayer and of Hexadecane: An Investigation of Membrane Fluidity

  Science · 1993 · 10.1126/science.8211140

• Langevin dynamics of peptides: The frictional dependence of isomerization rates of N ‐acetylalanyl‐ N ′‐methylamide

  Biopolymers · 1992 · https://doi.org/10.1002/bip.360320508

• Backbone dynamics of calmodulin studied by nitrogen-15 relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible

  Biochemistry · 1992 · 10.1021/bi00138a005

• An analysis of the accuracy of Langevin and molecular dynamics algorithms

  Molecular Physics · 1988 · https://doi.org/10.1080/00268978800101881

Current projects

No projects listed.