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Refinado por: Base de dados/Biblioteca: American Chemical Society Publications remover assunto: Physical Sciences remover Engineered Materials Abstracts remover
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1
Unlike Two Peas in a Pod: Lipid Phosphate Phosphatases and Phosphatidate Phosphatases
Unlike Two Peas in a Pod: Lipid Phosphate Phosphatases and Phosphatidate Phosphatases
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Unlike Two Peas in a Pod: Lipid Phosphate Phosphatases and Phosphatidate Phosphatases

Kok, Bernard P. C ; Venkatraman, Ganesh ; Capatos, Dora ; Brindley, David N

Chemical reviews, 2012-10, Vol.112 (10), p.5121-5146 [Periódico revisado por pares]

United States: American Chemical Society

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2
Principles and Applications of Nucleic Acid Strand Displacement Reactions
Principles and Applications of Nucleic Acid Strand Displacement Reactions
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Principles and Applications of Nucleic Acid Strand Displacement Reactions

Simmel, Friedrich C ; Yurke, Bernard ; Singh, Hari R

Chemical reviews, 2019-05, Vol.119 (10), p.6326-6369 [Periódico revisado por pares]

United States: American Chemical Society

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3
Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
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Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Yu, Yalun ; Krämer, Andreas ; Venable, Richard M ; Simmonett, Andrew C ; MacKerell, Alexander D ; Klauda, Jeffery B ; Pastor, Richard W ; Brooks, Bernard R

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1562-1580 [Periódico revisado por pares]

United States: American Chemical Society

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4
Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method
Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method
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Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method

König, Gerhard ; Mei, Ye ; Pickard, Frank C ; Simmonett, Andrew C ; Miller, Benjamin T ; Herbert, John M ; Woodcock, H. Lee ; Brooks, Bernard R ; Shao, Yihan

Journal of chemical theory and computation, 2016-01, Vol.12 (1), p.332-344 [Periódico revisado por pares]

United States: American Chemical Society

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5
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects
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Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

Krämer, Andreas ; Pickard, Frank C ; Huang, Jing ; Venable, Richard M ; Simmonett, Andrew C ; Reith, Dirk ; Kirschner, Karl N ; Pastor, Richard W ; Brooks, Bernard R

Journal of chemical theory and computation, 2019-06, Vol.15 (6), p.3854-3867 [Periódico revisado por pares]

United States: American Chemical Society

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6
Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations
Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations
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Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations

Leonard, Alison N ; Simmonett, Andrew C ; Pickard, Frank C ; Huang, Jing ; Venable, Richard M ; Klauda, Jeffery B ; Brooks, Bernard R ; Pastor, Richard W

Journal of chemical theory and computation, 2018-02, Vol.14 (2), p.948-958 [Periódico revisado por pares]

United States: American Chemical Society

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7
Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
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Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials

Dybeck, Eric C ; König, Gerhard ; Brooks, Bernard R ; Shirts, Michael R

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1466-1480 [Periódico revisado por pares]

United States: American Chemical Society

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8
Optimized Preprocessing of Ultra-Performance Liquid Chromatography/Mass Spectrometry Urinary Metabolic Profiles for Improved Information Recovery
Optimized Preprocessing of Ultra-Performance Liquid Chromatography/Mass Spectrometry Urinary Metabolic Profiles for Improved Information Recovery
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Optimized Preprocessing of Ultra-Performance Liquid Chromatography/Mass Spectrometry Urinary Metabolic Profiles for Improved Information Recovery

Veselkov, Kirill A ; Vingara, Lisa K ; Masson, Perrine ; Robinette, Steven L ; Want, Elizabeth ; Li, Jia V ; Barton, Richard H ; Boursier-Neyret, Claire ; Walther, Bernard ; Ebbels, Timothy M ; Pelczer, István ; Holmes, Elaine ; Lindon, John C ; Nicholson, Jeremy K

Analytical chemistry (Washington), 2011-08, Vol.83 (15), p.5864-5872 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
Nanomaterial Categorization for Assessing Risk Potential To Facilitate Regulatory Decision-Making
Nanomaterial Categorization for Assessing Risk Potential To Facilitate Regulatory Decision-Making
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Nanomaterial Categorization for Assessing Risk Potential To Facilitate Regulatory Decision-Making

Godwin, Hilary ; Nameth, Catherine ; Avery, David ; Bergeson, Lynn L ; Bernard, Daniel ; Beryt, Elizabeth ; Boyes, William ; Brown, Scott ; Clippinger, Amy J ; Cohen, Yoram ; Doa, Maria ; Hendren, Christine Ogilvie ; Holden, Patricia ; Houck, Keith ; Kane, Agnes B ; Klaessig, Frederick ; Kodas, Toivo ; Landsiedel, Robert ; Lynch, Iseult ; Malloy, Timothy ; Miller, Mary Beth ; Muller, Julie ; Oberdorster, Gunter ; Petersen, Elijah J ; Pleus, Richard C ; Sayre, Philip ; Stone, Vicki ; Sullivan, Kristie M ; Tentschert, Jutta ; Wallis, Philip ; Nel, Andre E

ACS nano, 2015-04, Vol.9 (4), p.3409-3417 [Periódico revisado por pares]

United States: American Chemical Society

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10
The Modification of Indium Tin Oxide with Phosphonic Acids: Mechanism of Binding, Tuning of Surface Properties, and Potential for Use in Organic Electronic Applications
The Modification of Indium Tin Oxide with Phosphonic Acids: Mechanism of Binding, Tuning of Surface Properties, and Potential for Use in Organic Electronic Applications
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The Modification of Indium Tin Oxide with Phosphonic Acids: Mechanism of Binding, Tuning of Surface Properties, and Potential for Use in Organic Electronic Applications

Hotchkiss, Peter J ; Jones, Simon C ; Paniagua, Sergio A ; Sharma, Asha ; Kippelen, Bernard ; Armstrong, Neal R ; Marder, Seth R

Accounts of chemical research, 2012-03, Vol.45 (3), p.337-346 [Periódico revisado por pares]

United States: American Chemical Society

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