A. Baumketner

发表

Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostatics.

A. Baumketner, 2009, The Journal of chemical physics.

Amyloid beta-protein: monomer structure and early aggregation states of Abeta42 and its Pro19 alloform.

G. Bitan, D. Teplow, A. Baumketner, 2005, Journal of the American Chemical Society.

An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.

Donald J. Jacobs, Shaozhong Deng, Andrij Baumketner, 2009, The Journal of chemical physics.

Ionic solvation studied by image-charge reaction field method.

D. Jacobs, W. Cai, Yuchun Lin, 2011, The Journal of chemical physics.

Clusters of lysozyme in aqueous solutions

W. Cai, A. Baumketner, W. Cai, 2018, Physical Review E.

A molecular dynamics study of the diffusion processes in liquid Na-K alloys

A. Baumketner, Y. Chushak, 1999 .

Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model.

D. Jacobs, Yuchun Lin, A. Baumketner, 2013, Communications in computational physics.

Microscopic factors that control β -sheet registry in Amyloid fibrils formed by 11–25 fragment of Amyloid β peptide: Insights from computer simulations

A. Baumketner, Lacramioara Negureanu, 2009 .

The mechanism of the converter domain rotation in the recovery stroke of myosin motor protein

A. Baumketner, 2012, Proteins.

Amyloid β-protein: Monomer structure and early aggregation states of Aβ42 and its Pro19 alloform

G. Bitan, D. Teplow, A. Baumketner, 2005 .

Title Amyloid beta-protein : monomer structure and early aggregation states of Abeta 42 and its

G. Bitan, D. Teplow, A. Baumketner, 2022 .

Effects of familial Alzheimer's disease mutations on the folding nucleation of the amyloid beta-protein.

D. Teplow, A. Baumketner, J. Shea, 2008, Journal of molecular biology.

Interactions between relay helix and Src homology 1 (SH1) domain helix drive the converter domain rotation during the recovery stroke of myosin II

A. Baumketner, 2012, Proteins.

The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides.

A. Baumketner, J. Shea, 2005, The journal of physical chemistry. B.

Structural organization of a chain molecule with specific charge distribution: A molecular dynamics study

A. Baumketner, Y. Hiwatari, H. Shimizu, 2002 .

Helix transition in di-block polyampholyte

A. Baumketner, H. Shimizu, Y. Hiwatari, 2001 .

Equilibrium clusters in suspensions of colloids interacting via potentials with a local minimum

A. Baumketner, W. Cai, 2016, 1603.02176.

Role of the familial Dutch mutation E22Q in the folding and aggregation of the 15–28 fragment of the Alzheimer amyloid-β protein

Joan-Emma Shea, Andrij Baumketner, A. Baumketner, 2008, Proceedings of the National Academy of Sciences.

The Thermodynamics of Folding of a β Hairpin Peptide Probed Through Replica Exchange Molecular Dynamics Simulations

Joan-Emma Shea, Andrij Baumketner, A. Baumketner, 2006 .

Stability of a protein tethered to a surface.

A. Baumketner, J. Shea, Miriam Friedel, 2007, The Journal of chemical physics.

The structure of the Alzheimer amyloid beta 10-35 peptide probed through replica-exchange molecular dynamics simulations in explicit solvent.

Joan-Emma Shea, Andrij Baumketner, A. Baumketner, 2007, Journal of molecular biology.

Folding Landscapes of the Alzheimer Amyloid-β(12-28) Peptide

Joan-Emma Shea, Andrij Baumketner, A. Baumketner, 2006 .

Amyloid β‐protein monomer structure: A computational and experimental study

G. Bitan, D. Teplow, A. Baumketner, 2006, Protein science : a publication of the Protein Society.

Amyloid b -protein monomer structure: A computational and experimental study

G. Bitan, A. Baumketner, J. Shea, 2006 .

Influence of the Hydrodynamic Interaction on Kinetics and Thermodynamics of Minimal Protein Models

A. Baumketner, Y. Hiwatari, 2002 .

Dynamical Properties of Liquid Binary Alloys: A Memory Function Study

J. Hafner, A. Baumketner, G. Kahl, 1996 .

Finite-size dependence of the bridge function extracted from molecular dynamics simulations.

A. Baumketner, Y. Hiwatari, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

On the Mechanism of Alkylammonium Ligands Binding to the Surface of CsPbBr3 Nanocrystals

M. Kovalenko, A. Baumketner, Marcel Aebli, 2021, Chemistry of materials : a publication of the American Chemical Society.

Stochastic tunneling minimization by molecular dynamics: an application to heteropolymer models

A. Baumketner, H. Shimizu, Y. Hiwatari, 2002 .

Aggregation of polyalanine in a hydrophobic environment.

A. Baumketner, J. Shea, Patricia Soto, 2006, The Journal of chemical physics.

Elucidating Amyloid β-Protein Folding and Assembly: A Multidisciplinary Approach

H. Stanley, J. Borreguero, G. Bitan, 2006 .

Structure of the 21–30 fragment of amyloid β‐protein

Andrij Baumketner, D. Teplow, A. Baumketner, 2006 .

Bridge function for liquid

A. Baumketner, Y. Chushak, 2022 .

Electric field as a disaggregating agent for amyloid fibrils.

A. Baumketner, 2014, The journal of physical chemistry. B.

Amyloid beta-protein: experiment and theory on the 21-30 fragment.

D. Teplow, A. Baumketner, J. Shea, 2009, The journal of physical chemistry. B.

ICSM: An order N method for calculating electrostatic interactions added to TINKER

Wei Cai, Katherine Baker, Shaozhong Deng, 2013, Comput. Phys. Commun..

A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvation

Andrij Baumketner, Zhenli Xu, Wei Cai, 2008, J. Comput. Phys..

Effect of atom- and group-based truncations on biomolecules simulated with reaction-field electrostatics

B. Ni, A. Baumketner, 2011, Journal of molecular modeling.

Title Amyloid β-protein monomer structure : A computational and experimental study

G. Bitan, A. Baumketner, J. Shea, 2006 .

Softness and non-spherical shape define the phase behavior and the structural properties of lysozyme in aqueous solutions.

A. Baumketner, D. Costa, C. Caccamo, 2016, The Journal of chemical physics.

Effects of surface tethering on protein folding mechanisms.

A. Baumketner, J. Shea, Miriam Friedel, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Microscopic factors that control beta-sheet registry in amyloid fibrils formed by fragment 11-25 of amyloid beta peptide: insights from computer simulations.

A. Baumketner, Lacramioara Negureanu, 2009, Journal of molecular biology.

Elucidating amyloid beta-protein folding and assembly: A multidisciplinary approach.

H. Stanley, J. Borreguero, G. Bitan, 2006, Accounts of chemical research.

Amyloid beta-protein monomer structure: a computational and experimental study.

G. Bitan, D. Teplow, A. Baumketner, 2006, Protein science : a publication of the Protein Society.

Amyloid beta-protein: experiment and theory on the 21-30 fragment.

D. Teplow, A. Baumketner, J. Shea, 2009, The journal of physical chemistry. B.

Structure of the 21-30 fragment of amyloid beta-protein.

D. Teplow, A. Baumketner, J. Shea, 2006, Protein science : a publication of the Protein Society.

The Amyloid β-Protein: Experiment and Theory on the 21-30 Fragment

D. Teplow, A. Baumketner, Summer L. Bernstein, 2009 .

Accelerated folding in the weak hydrophobic environment of a chaperonin cavity: creation of an alternate fast folding pathway.

A I Jewett, A. Baumketner, J. Shea, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Amyloid beta-protein: monomer structure and early aggregation states of Abeta42 and its Pro19 alloform.

G. Bitan, D. Teplow, A. Baumketner, 2005, Journal of the American Chemical Society.

Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

B. Ni, A. Baumketner, 2013, The Journal of chemical physics.

An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.

D. Jacobs, Yuchun Lin, A. Baumketner, 2009, The Journal of chemical physics.

Free energy landscapes for amyloidogenic tetrapeptides dimerization.

A. Baumketner, J. Shea, A Baumketner, 2005, Biophysical journal.

Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions

Wei Cai, Shaozhong Deng, Donald Jacobs, 2013, J. Comput. Phys..

Self-assembly of two-dimensional lattices driven by shape complementarity and attractive interactions

A. Baumketner, 2023, Journal of Molecular Liquids.

Early stages of the recovery stroke in myosin II studied by molecular dynamics simulations

A. Baumketner, Y. Nesmelov, 2011, Protein science : a publication of the Protein Society.

Diffusive dynamics of protein folding studied by molecular dynamics simulations of an off-lattice model.

A. Baumketner, Y. Hiwatari, 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.