Andrij Baumketner

发表

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..

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..

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

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

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.

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

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

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

Andrij Baumketner, Yuri Nesmelov, 2011, Protein science : a publication of the Protein Society.

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.

Folding landscapes of the Alzheimer amyloid-beta(12-28) peptide.

Joan-Emma Shea, Andrij Baumketner, 2006, Journal of molecular biology.

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.

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

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

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

Andrij Baumketner, Boris Ni, 2013, The Journal of chemical physics.