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A Quantitative Scale of Oxophilicity and Thiophilicity

Inorganic chemistry, 2016-09, Vol.55 (18), p.9461-9470

Kepp, Kasper P

2016

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Bioinorganic Chemistry of Alzheimer’s Disease

Chemical reviews, 2012-10, Vol.112 (10), p.5193-5239

Kepp, Kasper P

2012

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Theoretical Study of Spin Crossover in 30 Iron Complexes

Inorganic chemistry, 2016-03, Vol.55 (6), p.2717-2727

Kepp, Kasper P

2016

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Alzheimer's disease due to loss of function: A new synthesis of the available data

Progress in neurobiology, 2016-08, Vol.143, p.36-60

Kepp, Kasper P

2016

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Comment on "Density functional theory is straying from the path toward the exact functional"

Science (American Association for the Advancement of Science), 2017-05, Vol.356 (6337), p.496-496

Kepp, Kasper P

2017

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The Chemical Bond between Transition Metals and Oxygen: Electronegativity, d‑Orbital Effects, and Oxophilicity as Descriptors of Metal–Oxygen Interactions

Journal of physical chemistry. C, 2019-08, Vol.123 (30), p.18432-18444

2019

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Iron(II) and Iron(III) Spin Crossover: Toward an Optimal Density Functional

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4208-4217

2018

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A quantitative model of human neurodegenerative diseases involving protein aggregation

Neurobiology of aging, 2019-08, Vol.80, p.46-55

Kepp, Kasper P.

2019

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Characterization of an alkali- and halide-resistant laccase expressed in E. coli: CotA from Bacillus clausii

PloS one, 2014-06, Vol.9 (6), p.e99402

2014

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Chemical Causes of Metal Nobleness

Chemphyschem, 2020-03, Vol.21 (5), p.360-369

Kepp, Kasper P.

2020

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The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models

Chemphyschem, 2015-10, Vol.16 (15), p.3278-3289

2015

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Energy vs. density on paths toward more exact density functionals

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (11), p.7538-7548

Kepp, Kasper P

2018

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A structural-chemical explanation of fungal laccase activity

Scientific reports, 2018-11, Vol.8 (1), p.17285-16, Article 17285

2018

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Free Energies of Hydration for Metal Ions from Heats of Vaporization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (30), p.6536-6546

Kepp, Kasper P

2019

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Thermochemically Consistent Free Energies of Hydration for Di- and Trivalent Metal Ions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-09, Vol.122 (37), p.7464-7471

Kepp, Kasper P

2018

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Cryo-temperature effects on membrane protein structure and dynamics

Physical chemistry chemical physics : PCCP, 2020-03, Vol.22 (1), p.5427-5438

2020

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Trends in Strong Chemical Bonding in C2, CN, CN–, CO, N2, NO, NO+, and O2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (47), p.9092-9098

Kepp, Kasper P

2017

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Towards a “Golden Standard” for computing globin stability: Stability and structure sensitivity of myoglobin mutants

Biochimica et biophysica acta, 2015-10, Vol.1854 (10), p.1239-1248

Kepp, Kasper P.

2015

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Chemical Bond Energies of 3d Transition Metals Studied by Density Functional Theory

Journal of chemical theory and computation, 2018-07, Vol.14 (7), p.3479-3492

2018

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Benchmarking Density Functionals for Chemical Bonds of Gold

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (9), p.2022-2034

Kepp, Kasper P

2017

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Molecular dynamics of C99-bound γ-secretase reveal two binding modes with distinct compactness, stability, and active-site retention: implications for Aβ production

Biochemical journal, 2019-04, Vol.476 (7), p.1173-1189

2019

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Cell size effects in the molecular dynamics of the intrinsically disordered Aβ peptide

The Journal of chemical physics, 2019-08, Vol.151 (8), p.085101-085101

2019

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Bioinorganic Chemistry Modeled with the TPSSh Density Functional

Inorganic chemistry, 2008-11, Vol.47 (22), p.10357-10365

Jensen, Kasper P

2008

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A base measure of precision for protein stability predictors: structural sensitivity

BMC bioinformatics, 2021-02, Vol.22 (1), p.88-14, Article 88

2021

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Trends in Strong Chemical Bonding in C 2 , CN, CN - , CO, N 2 , NO, NO + , and O 2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (47), p.9092-9098

Kepp, Kasper P

2017

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A Quantitative Scale of Oxophilicity and Thiophilicity

Bioinorganic Chemistry of Alzheimer’s Disease

Theoretical Study of Spin Crossover in 30 Iron Complexes

Alzheimer's disease due to loss of function: A new synthesis of the available data

Comment on "Density functional theory is straying from the path toward the exact functional"

The Chemical Bond between Transition Metals and Oxygen: Electronegativity, d‑Orbital Effects, and Oxophilicity as Descriptors of Metal–Oxygen Interactions

Iron(II) and Iron(III) Spin Crossover: Toward an Optimal Density Functional

A quantitative model of human neurodegenerative diseases involving protein aggregation

Characterization of an alkali- and halide-resistant laccase expressed in E. coli: CotA from Bacillus clausii

Chemical Causes of Metal Nobleness

The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models

Energy vs. density on paths toward more exact density functionals

A structural-chemical explanation of fungal laccase activity

Free Energies of Hydration for Metal Ions from Heats of Vaporization

Thermochemically Consistent Free Energies of Hydration for Di- and Trivalent Metal Ions

Cryo-temperature effects on membrane protein structure and dynamics

Trends in Strong Chemical Bonding in C2, CN, CN–, CO, N2, NO, NO+, and O2

Towards a “Golden Standard” for computing globin stability: Stability and structure sensitivity of myoglobin mutants

Chemical Bond Energies of 3d Transition Metals Studied by Density Functional Theory

Benchmarking Density Functionals for Chemical Bonds of Gold

Molecular dynamics of C99-bound γ-secretase reveal two binding modes with distinct compactness, stability, and active-site retention: implications for Aβ production

Cell size effects in the molecular dynamics of the intrinsically disordered Aβ peptide

Bioinorganic Chemistry Modeled with the TPSSh Density Functional

A base measure of precision for protein stability predictors: structural sensitivity

Trends in Strong Chemical Bonding in C 2 , CN, CN - , CO, N 2 , NO, NO + , and O 2

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