S. Feller

发表

Constant pressure molecular dynamics simulation: The Langevin piston method

B. Brooks, R. Pastor, S. Feller, 1995 .

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

B. Brooks, A. Rojnuckarin, R. Pastor, 1996 .

An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids

Alexander D. MacKerell, S. Feller, 2000 .

Rotational diffusion anisotropy of human ubiquitin from 15N NMR relaxation

A. Bax, N. Tjandra, R. Pastor, 1995 .

Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data.

Jeremy Pencer, John Katsaras, S. Feller, 2008, Biophysical journal.

On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.

R. Pastor, S. Feller, R W Pastor, 1996, Biophysical journal.

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

Alexander D. MacKerell, R. Pastor, S. Feller, 1997, Biophysical journal.

Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation

Harry A. Stern, S. Feller, H. Stern, 2003 .

Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol.

Alexander D. MacKerell, Frank Suits, Alexander D Mackerell, 2004, Biochemistry.

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

Bernard R. Brooks, Richard W. Pastor, B. Brooks, 1995 .

Structural And Dynamic Effects Of Cholesterol At Preferred Sites Of Interaction With Rhodopsin Identified From Microsecond Length Molecular Dynamics Simulations

H. Weinstein, M. Pitman, S. Feller, 2009 .

Rhodopsin exhibits a preference for solvation by polyunsaturated docosohexaenoic acid.

S. Feller, T. Woolf, K. Gawrisch, 2003, Journal of the American Chemical Society.

Comparison of cis and trans fatty acid containing phosphatidylcholines on membrane properties.

S. Feller, S. Shaikh, W. Stillwell, 2004, Biochemistry.

Contribution of omega-3 fatty acids to the thermodynamics of membrane protein solvation.

M. Pitman, S. Feller, A. Grossfield, 2006, The journal of physical chemistry. B.

Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures.

M. Pitman, Michael F. Brown, S. Feller, 2014, Biochemistry.

Dynamic structure of retinylidene ligand of rhodopsin probed by molecular simulations.

M. Pitman, Michael F. Brown, S. Feller, 2007, Journal of molecular biology.

Determination of component volumes of lipid bilayers from simulations.

S. Feller, J. Nagle, H. Petrache, 1997, Biophysical journal.

α-Tocopherol Is Well Designed to Protect Polyunsaturated Phospholipids: MD Simulations.

Jacob J. Kinnun, S. Feller, N. Kučerka, 2015, Biophysical journal.

Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin.

Alan Grossfield, M. Pitman, S. Feller, 2008, Journal of molecular biology.

Characterisation of a new ceramide EOS species: synthesis and investigation of the thermotropic phase behaviour and influence on the bilayer architecture of stratum corneum lipid model membranes

Alexander Vogel, R. Neubert, S. Feller, 2011 .

Time Scales of Lipid Dynamics and Molecular Dynamics

R. Pastor, S. Feller, 1996 .

Solid-state (2)H NMR and MD simulations of positional isomers of a monounsaturated phospholipid membrane: structural implications of double bond location.

S. Feller, S. Wassall, R. Adlof, 2010, The journal of physical chemistry. B.

Phospholipid component volumes: determination and application to bilayer structure calculations.

R. Armen, S. Feller, R S Armen, 1998, Biophysical journal.

Polyunsaturated docosahexaenoic vs docosapentaenoic acid-differences in lipid matrix properties from the loss of one double bond.

S. Feller, S. Tristram-Nagle, I. V. Polozov, 2003, Journal of the American Chemical Society.

A Program of Computational Chemistry Exercises for the First-Semester General Chemistry Course

S. Feller, R. Dallinger, P. C. McKinney, 2004 .

Acyl chain conformations in phospholipid bilayers: a comparative study of docosahexaenoic acid and saturated fatty acids.

S. Feller, Scott E Feller, 2008, Chemistry and physics of lipids.

Calculation of the force between planar electrical double layers containing counterion mixtures

D. A. Mcquarrie, S. Feller, 1993 .

The Modified Gouy-Chapman Theory: Comparisons between Electrical Double Layer Models of Clay Swelling

D. A. Mcquarrie, S. Feller, J. Greathouse, 1994 .

Flexibility of ras lipid modifications studied by 2H solid-state NMR and molecular dynamics simulations.

H. Waldmann, S. Feller, D. Huster, 2007, Biophysical journal.

Molecular dynamics simulations of lipid bilayers

S. Feller, Scott E. Feller, 2000 .

Molecular Organization of a Raft-like Domain in a Polyunsaturated Phospholipid Bilayer: A Supervised Machine Learning Analysis of Molecular Dynamics Simulations.

S. Feller, S. Wassall, Samuel W Canner, 2021, The journal of physical chemistry. B.

Structure and dynamics of a fluid phase bilayer on a solid support as observed by a molecular dynamics computer simulation.

S. Feller, Matthew Roark, 2008, Langmuir : the ACS journal of surfaces and colloids.

A Lipid Pathway for Ligand Binding Is Necessary for a Cannabinoid G Protein-coupled Receptor*

Tod D Romo, Alan Grossfield, Dow P Hurst, 2010, The Journal of Biological Chemistry.

Structural studies of HIV-1 Gag p6ct and its interaction with Vpr determined by solution nuclear magnetic resonance.

I. Alves, G. Salgado, S. Feller, 2009, Biochemistry.

Error Estimates for Fitted Parameters: Application to HCl/DCl Vibrational-Rotational Spectroscopy

S. Feller, C. Blaich, 2001 .

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

Richard W. Pastor, R. Pastor, S. Feller, 1999 .

Lipid bilayers, NMR relaxation, and computer simulations.

R. Pastor, S. Feller, R. Venable, 2002, Accounts of chemical research.

The structure of electrolytes in cylindrical pores

S. Feller, M. Lozada-Cassou, E. Sánchez, 1993 .

The orientation and dynamics of estradiol and estradiol oleate in lipid membranes and HDL disc models.

S. Feller, H. Scheidt, D. Huster, 2014, Biophysical journal.

Backbone conformational flexibility of the lipid modified membrane anchor of the human N-Ras protein investigated by solid-state NMR and molecular dynamics simulation.

H. Waldmann, S. Feller, D. Huster, 2010, Biochimica et biophysica acta.

Molecular dynamics investigation of dynamical properties of phosphatidylethanolamine lipid bilayers.

Frank Suits, F. Suits, M. Pitman, 2005, The Journal of chemical physics.

Nuclear Overhauser enhancement spectroscopy cross-relaxation rates and ethanol distribution across membranes.

S. Feller, K. Gawrisch, Scott E Feller, 2002, Biophysical journal.

The role of membranes in the organization of HIV-1 Gag p6 and Vpr: p6 shows high affinity for membrane bilayers which substantially increases the interaction between p6 and Vpr.

I. Alves, G. Salgado, S. Feller, 2009, Journal of medicinal chemistry.

Models to analyze small-angle neutron scattering from unilamellar lipid vesicles.

S. Feller, J. Nagle, P. Balgavý, 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties.

Alexander D. MacKerell, Alexander D MacKerell, S. Feller, 2002, Journal of the American Chemical Society.

Molecular dynamics simulations reveal specific interactions of post-translational palmitoyl modifications with rhodopsin in membranes.

M. Pitman, S. Feller, A. Grossfield, 2012, Journal of the American Chemical Society.

A reinterpretation of neutron scattering experiments on a lipidated Ras peptide using replica exchange molecular dynamics.

S. Feller, Alexander Vogel, Matthew Roark, 2012, Biochimica et biophysica acta.

Properties of docosahexaenoic-acid-containing lipids and their influence on the function of rhodopsin.

S. Feller, K. Gawrisch, Scott E Feller, 2005, Current opinion in structural biology.

A role for direct interactions in the modulation of rhodopsin by ω-3 polyunsaturated lipids

Alan Grossfield, Michael C. Pitman, M. Pitman, 2006 .

Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment.

Frank Suits, Alan Grossfield, F. Suits, 2005, Journal of the American Chemical Society.

Molecular dynamics investigation of the structural properties of phosphatidylethanolamine lipid bilayers.

Frank Suits, F. Suits, M. Pitman, 2005, The Journal of chemical physics.

All n-3 PUFA are not the same: MD simulations reveal differences in membrane organization for EPA, DHA and DPA.

Jacob J. Kinnun, S. Feller, S. Shaikh, 2018, Biochimica et biophysica acta. Biomembranes.

Interpretation of NOESY Cross-Relaxation Rates from Molecular Dynamics Simulation of a Lipid Bilayer

Daniel Huster, S. Feller, D. Huster, 1999 .

Convergence of molecular dynamics simulations of membrane proteins

Alan Grossfield, M. Pitman, S. Feller, 2007, Proteins.

Retinal conformation governs pKa of protonated Schiff base in rhodopsin activation.

S. Feller, Shengshuang Zhu, Michael F. Brown, 2013, Journal of the American Chemical Society.

Molecular simulations and solid-state NMR investigate dynamical structure in rhodopsin activation.

S. Feller, Blake Mertz, A. Struts, 2012, Biochimica et biophysica acta.

Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations

George Khelashvili, Harel Weinstein, Alan Grossfield, 2009, Proteins.

Molecular Dynamics Simulation of Phospholipid Bilayers

S. Feller, 2001 .

Computer Simulation of a DPPC Phospholipid Bilayer: Structural Changes as a Function of Molecular Surface Area

Richard W. Pastor, Richard M. Venable, R. Pastor, 1997 .

A variational solution of the nonlinear poisson-boltzmann equation inside a spherical cavity

D. A. Mcquarrie, S. Feller, Joan E. Curry, 1991 .

A variational solution to the hypernetted chain equations applied to the electrical double layer

D. A. Mcquarrie, S. Feller, 1992 .

Computer simulation of liquid/liquid interfaces. II. Surface tension-area dependence of a bilayer and monolayer

R. Pastor, S. Feller, Yuhong Zhang, 1995 .

A Flexible All-Atom Model of Dimethyl Sulfoxide for Molecular Dynamics Simulations

S. Feller, Scott E. Feller, Matthew L. Strader, 2002 .

Ionic size effects on the force between planar electrical double layers

D. A. Mcquarrie, S. Feller, 1993 .

Blue Matter: Strong Scaling of Molecular Dynamics on Blue Gene/L

Robert S. Germain, Mark Giampapa, Ruhong Zhou, 2006, International Conference on Computational Science.

Rotational Diffusion Anisotropy of Human Ubiquitin from 1 5 N NMR Relaxation Nico Tjandra ?

R. Pastor, S. Feller, 2001 .

Molecular dynamics simulation study of correlated motions in phospholipid bilayer membranes.

S. Feller, Matthew Roark, 2009, The journal of physical chemistry. B.

Evidence for a mechanism by which omega-3 polyunsaturated lipids may affect membrane protein function.

Mauricio Carrillo-Tripp, S. Feller, M. Carrillo-Tripp, 2005, Biochemistry.

Computational modeling of membrane bilayers

S. Feller, Scott E. Feller, 2008 .

Internal hydration increases during activation of the G-protein-coupled receptor rhodopsin.

M. Pitman, S. Feller, K. Gawrisch, 2008, Journal of molecular biology.

Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures.

M. Pitman, S. Feller, Blake Mertz, 2014, Biochemistry.

On simulating lipid bilayers with an applied surface tension: periodic boundary conditions and undulations.

S. Feller, Richard W. Pastor, 1996, Biophysical journal.

Retinal counterion switch mechanism in vision evaluated by molecular simulations.

Alan Grossfield, Karina Martínez-Mayorga, M. Pitman, 2006, Journal of the American Chemical Society.

A role for direct interactions in the modulation of rhodopsin by omega-3 polyunsaturated lipids.

Alan Grossfield, M. Pitman, S. Feller, 2006, Proceedings of the National Academy of Sciences of the United States of America.