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Exploring the role of hydration and confinement in the aggregation of amyloidogenic peptides Aβ16−22 and Sup357−13 in AOT reverse micelles

The Journal of chemical physics, 2014-12, Vol.141 (22)

2014

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Comparison of Geometric, Electronic, and Vibrational Properties for Isomers of Small Fullerenes C20−C36

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (29), p.6649-6657

2007

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Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations

The journal of physical chemistry. B, 2014-07, Vol.118 (28), p.7848-7855

2014

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Water Freezing and Ice Melting

Journal of chemical theory and computation, 2015-12, Vol.11 (12), p.5613-5623

2015

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Pathways through Equilibrated States with Coexisting Phases for Gas Hydrate Formation

The journal of physical chemistry. B, 2015-12, Vol.119 (52), p.15857-15865

2015

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Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid–Vapor Equilibrium

The journal of physical chemistry. B, 2015-10, Vol.119 (42), p.13379-13384

2015

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Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7345-7351

2013

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Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

Physical review letters, 2015-04, Vol.114 (17), p.170601-170601, Article 170601

2015

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Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method

Chemical physics letters, 2005-09, Vol.412 (4), p.237-243

2005

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Genoppi is an open-source software for robust and standardized integration of proteomic and genetic data

Nature communications, 2021-05, Vol.12 (1), p.2580-2580, Article 2580

2021

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Comparison of Geometric, Electronic, and Vibrational Properties for Isomers of Small Fullerenes C 20 −C 36

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (29), p.6649-6657

2007

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Computational study of molecular properties of aggregates of C60 and (16,0) zigzag nanotube

Chemical physics letters, , Vol.446 (1-3), p.87-91

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Exploring the role of hydration and confinement in the aggregation of amyloidogenic peptides Aβ(16-22) and Sup35(7-13) in AOT reverse micelles

The Journal of chemical physics, 2014-12, Vol.141 (22), p.22D530-22D530

2014

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Symmetrization of the AMBER and CHARMM force fields

Journal of computational chemistry, 2010-05, Vol.31 (7), p.1402-1409

2010

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Dynamics of Methionine Ligand Rebinding in Cytochrome c

The journal of physical chemistry. B, 2012-06, Vol.116 (23), p.6980-6990

2012

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Modeling of protein misfolding in disease

Methods in molecular biology (Clifton, N.J.), 2008, Vol.443, p.297

Małolepsza, Edyta B

2008

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Theoretical Model of Prion Propagation: A Misfolded Protein Induces Misfolding

Proceedings of the National Academy of Sciences - PNAS, 2005-05, Vol.102 (22), p.7835-7840

2005

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Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA2 in AOT Reverse Micelles

The journal of physical chemistry. B, 2015-07, Vol.119 (29), p.9084-9090

2015

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Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA 2 in AOT Reverse Micelles

The journal of physical chemistry. B, 2015-07, Vol.119 (29), p.9084-9090

2015

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Protein interaction networks in the vasculature prioritize genes and pathways underlying coronary artery disease

Communications biology, 2024-01, Vol.7 (1), p.87-87, Article 87

2024

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Erratum: Symmetrization of the AMBER and CHARMM force fields [J. Comp. Chem. 31, 1402]

Journal of computational chemistry, 2012-10, Vol.33 (27), p.2209-2209

2012

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Comparison of geometric, electronic, and vibrational properties for all pentagon/hexagon‐bearing isomers of fullerenes C38, C40, and C42

International journal of quantum chemistry, 2009, Vol.109 (9), p.1999-2011

2009

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Comparison of geometric, electronic, and vibrational properties for all pentagon/hexagon‐bearing isomers of fullerenes C 38 , C 40 , and C 42

International journal of quantum chemistry, 2009-08, Vol.109 (9), p.1999-2011

2009

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Computational study of molecular properties of aggregates of C 60 and (16, 0) zigzag nanotube

Chemical physics letters, 2007-09, Vol.446 (1), p.87-91

2007

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Exploring the role of hydration and confinement in the aggregation of amyloidogenic peptides Aβ16−22 and Sup357−13 in AOT reverse micelles

Comparison of Geometric, Electronic, and Vibrational Properties for Isomers of Small Fullerenes C20−C36

Empirical Maps For The Calculation of Amide I Vibrational Spectra of Proteins From Classical Molecular Dynamics Simulations

Water Freezing and Ice Melting

Pathways through Equilibrated States with Coexisting Phases for Gas Hydrate Formation

Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid–Vapor Equilibrium

Probing the Structure and Dynamics of Confined Water in AOT Reverse Micelles

Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

Accurate vibrational frequencies using the self-consistent-charge density-functional tight-binding method

Genoppi is an open-source software for robust and standardized integration of proteomic and genetic data

Comparison of Geometric, Electronic, and Vibrational Properties for Isomers of Small Fullerenes C 20 −C 36

Computational study of molecular properties of aggregates of C60 and (16,0) zigzag nanotube

Exploring the role of hydration and confinement in the aggregation of amyloidogenic peptides Aβ(16-22) and Sup35(7-13) in AOT reverse micelles

Symmetrization of the AMBER and CHARMM force fields

Dynamics of Methionine Ligand Rebinding in Cytochrome c

Modeling of protein misfolding in disease

Cohesin mutations alter DNA damage repair and chromatin structure and create therapeutic vulnerabilities in MDS/AML

Theoretical Model of Prion Propagation: A Misfolded Protein Induces Misfolding

Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA2 in AOT Reverse Micelles

Role of Charge and Solvation in the Structure and Dynamics of Alanine-Rich Peptide AKA 2 in AOT Reverse Micelles

Protein interaction networks in the vasculature prioritize genes and pathways underlying coronary artery disease

Erratum: Symmetrization of the AMBER and CHARMM force fields [J. Comp. Chem. 31, 1402]

Comparison of geometric, electronic, and vibrational properties for all pentagon/hexagon‐bearing isomers of fullerenes C38, C40, and C42

Comparison of geometric, electronic, and vibrational properties for all pentagon/hexagon‐bearing isomers of fullerenes C 38 , C 40 , and C 42

Computational study of molecular properties of aggregates of C 60 and (16, 0) zigzag nanotube

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