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Computational Study of the Forces Driving Aggregation of Ultrasmall Nanoparticles in Biological Fluids

ACS nano, 2017-04, Vol.11 (4), p.4145-4154

Hassan, Sergio A

2017

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Computer Simulation of Ion Cluster Speciation in Concentrated Aqueous Solutions at Ambient Conditions

The journal of physical chemistry. B, 2008-08, Vol.112 (34), p.10573-10584

Hassan, Sergio A

2008

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Biointeractions of ultrasmall glutathione-coated gold nanoparticles: effect of small size variations

Nanoscale, 2016-03, Vol.8 (12), p.6577-6588

2016

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Reversion mutations in phosphoprotein P of a codon-pair-deoptimized human respiratory syncytial virus confer increased transcription, immunogenicity, and genetic stability without loss of attenuation

PLoS pathogens, 2021-12, Vol.17 (12), p.e1010191-e1010191

2021

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Artificial neural networks for the inverse design of nanoparticles with preferential nano-bio behaviors

The Journal of chemical physics, 2020-08, Vol.153 (5), p.054102

Hassan, Sergio A.

2020

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Strong dependence of the nano-bio interactions on core morphology and layer composition of ultrasmall nanostructures

The Journal of chemical physics, 2019-09, Vol.151 (10), p.105102

Hassan, Sergio A.

2019

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The Intriguing Effects of Substituents in the N -Phenethyl Moiety of Norhydromorphone: A Bifunctional Opioid from a Set of "Tail Wags Dog" Experiments

Molecules (Basel, Switzerland), 2020-06, Vol.25 (11), p.2640

2020

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Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions

Physical chemistry chemical physics : PCCP, 2018-11, Vol.2 (45), p.28544-28557

Hassan, Sergio A

2018

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Correction: Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions

Physical chemistry chemical physics : PCCP, 2018-12, Vol.2 (47), p.353-353

Hassan, Sergio A

2018

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Implicit treatment of solvent dispersion forces in protein simulations

Journal of computational chemistry, 2014-08, Vol.35 (22), p.1621-1629

Hassan, Sergio A.

2014

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Blockade of GRTH/DDX25 Phosphorylation by Cyclic Peptides Provides an Avenue for Developing a Nonhormonal Male Contraceptive

Journal of medicinal chemistry, 2021-10, Vol.64 (19), p.14715-14727

2021

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Biomolecular interactions of ultrasmall metallic nanoparticles and nanoclusters

Nanoscale advances, 2021-04, Vol.3 (11), p.2995-327

2021

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Cannabinoformins: Designing Biguanide-Embedded, Orally Available, Peripherally Selective Cannabinoid‑1 Receptor Antagonists for Metabolic Syndrome Disorders

Journal of medicinal chemistry, 2023-09, Vol.66 (17), p.11985-12004

2023

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Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties

Proteins, structure, function, and bioinformatics, 2005-08, Vol.60 (3), p.464-484

2005

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A conserved oligomerization domain in the disordered linker of coronavirus nucleocapsid proteins

Science advances, 2023-04, Vol.9 (14), p.eadg6473

2023

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Role of Albumin in the Formation and Stabilization of Nanoparticle Aggregates in Serum Studied by Continuous Photon Correlation Spectroscopy and Multiscale Computer Simulations

Journal of physical chemistry. C, 2014-07, Vol.118 (29), p.16199-16208

2014

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Specific and Non-Specific Protein Association in Solution: Computation of Solvent Effects and Prediction of First-Encounter Modes for Efficient Configurational Bias Monte Carlo Simulations

The journal of physical chemistry. B, 2013-10, Vol.117 (41), p.12360-12374

2013

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Modulation of free energy landscapes as a strategy for the design of antimicrobial peptides

Journal of biological physics, 2022-06, Vol.48 (2), p.151-166

2022

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Microscopic mechanism of nanocrystal formation from solution by cluster aggregation and coalescence

The Journal of chemical physics, 2011-03, Vol.134 (11), p.114508-114508-7

Hassan, Sergio A.

2011

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Plasticity in structure and assembly of SARS-CoV-2 nucleocapsid protein

PNAS nexus, 2022-05, Vol.1 (2), p.pgac049-pgac049

2022

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Synthesis, Biological Evaluation, and Molecular Modeling Studies of 3,4-Diarylpyrazoline Series of Compounds as Potent, Nonbrain Penetrant Antagonists of Cannabinoid‑1 (CB1R) Receptor with Reduced Lipophilicity

Journal of medicinal chemistry, 2022-02, Vol.65 (3), p.2374-2387

2022

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Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

The Journal of chemical physics, 2012-08, Vol.137 (7), p.074102-074102

Hassan, Sergio A

2012

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Binding kinetics of ultrasmall gold nanoparticles with proteins

Nanoscale, 2018-02, Vol.10 (7), p.3235-3244

2018

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Characterization of the Phosphorylation Site of GRTH/DDX25 and Protein Kinase A Binding Interface Provides Structural Basis for the Design of a Non-Hormonal Male Contraceptive

Scientific reports, 2019-04, Vol.9 (1), p.6705, Article 6705

2019

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Evidence That Proline Focuses Movement of the Floppy Loop of Arylalkylamine N-Acetyltransferase (EC 2.3.1.87)

The Journal of biological chemistry, 2008-05, Vol.283 (21), p.14552-14558

2008

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Computational Study of the Forces Driving Aggregation of Ultrasmall Nanoparticles in Biological Fluids

Computer Simulation of Ion Cluster Speciation in Concentrated Aqueous Solutions at Ambient Conditions

Biointeractions of ultrasmall glutathione-coated gold nanoparticles: effect of small size variations

Reversion mutations in phosphoprotein P of a codon-pair-deoptimized human respiratory syncytial virus confer increased transcription, immunogenicity, and genetic stability without loss of attenuation

Artificial neural networks for the inverse design of nanoparticles with preferential nano-bio behaviors

Strong dependence of the nano-bio interactions on core morphology and layer composition of ultrasmall nanostructures

The Intriguing Effects of Substituents in the N -Phenethyl Moiety of Norhydromorphone: A Bifunctional Opioid from a Set of "Tail Wags Dog" Experiments

Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions

Correction: Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions

Implicit treatment of solvent dispersion forces in protein simulations

Blockade of GRTH/DDX25 Phosphorylation by Cyclic Peptides Provides an Avenue for Developing a Nonhormonal Male Contraceptive

Biomolecular interactions of ultrasmall metallic nanoparticles and nanoclusters

Cannabinoformins: Designing Biguanide-Embedded, Orally Available, Peripherally Selective Cannabinoid‑1 Receptor Antagonists for Metabolic Syndrome Disorders

Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties

A conserved oligomerization domain in the disordered linker of coronavirus nucleocapsid proteins

Role of Albumin in the Formation and Stabilization of Nanoparticle Aggregates in Serum Studied by Continuous Photon Correlation Spectroscopy and Multiscale Computer Simulations

Specific and Non-Specific Protein Association in Solution: Computation of Solvent Effects and Prediction of First-Encounter Modes for Efficient Configurational Bias Monte Carlo Simulations

Modulation of free energy landscapes as a strategy for the design of antimicrobial peptides

Microscopic mechanism of nanocrystal formation from solution by cluster aggregation and coalescence

Plasticity in structure and assembly of SARS-CoV-2 nucleocapsid protein

Synthesis, Biological Evaluation, and Molecular Modeling Studies of 3,4-Diarylpyrazoline Series of Compounds as Potent, Nonbrain Penetrant Antagonists of Cannabinoid‑1 (CB1R) Receptor with Reduced Lipophilicity

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields

Binding kinetics of ultrasmall gold nanoparticles with proteins

Characterization of the Phosphorylation Site of GRTH/DDX25 and Protein Kinase A Binding Interface Provides Structural Basis for the Design of a Non-Hormonal Male Contraceptive

Evidence That Proline Focuses Movement of the Floppy Loop of Arylalkylamine N-Acetyltransferase (EC 2.3.1.87)

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