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Structure and Thermotropic Behavior of Bovine- and Porcine-Derived Exogenous Lung Surfactants

Langmuir, 2020-12, Vol.36 (48), p.14514-14529

2020

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Do Large Language Models Understand Chemistry? A Conversation with ChatGPT

Journal of chemical information and modeling, 2023-03, Vol.63 (6), p.1649-1655

2023

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Molecular Modeling Study of Uncharged Oximes Compared to HI‑6 and 2‑PAM Inside Human AChE Sarin and VX Conjugates

ACS omega, 2020-03, Vol.5 (9), p.4490-4500

2020

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Bees biodiversity, forage behavior and fruit production in gherkin crop (Cucumis anguria L.)

Acta scientiarum. Animal sciences, 2020, Vol.42, p.e47421-e47421

2020

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Hydrophilic But Not Hydrophobic Surfactant Protein Genetic Variants Are Associated With Severe Acute Respiratory Syncytial Virus Infection in Children

Frontiers in immunology, 2022-07, Vol.13, p.922956-922956

2022

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Antimalarial activity and mechanisms of action of two novel 4-aminoquinolines against chloroquine-resistant parasites

PloS one, 2012-05, Vol.7 (5), p.e37259

2012

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New insights into exogenous surfactant as a carrier of pulmonary therapeutics

Biochemical pharmacology, 2019-06, Vol.164, p.64-73

2019

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Lung surfactant negatively affects the photodynamic inactivation of bacteria-in vitro and molecular dynamic simulation analyses

Proceedings of the National Academy of Sciences - PNAS, 2022-06, Vol.119 (25), p.e2123564119-e2123564119

2022

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Absolute binding free energies of the antiviral peptide ATN-161 with protein targets of SARS-CoV-2

Journal of biomolecular structure & dynamics, 2023-12, Vol.ahead-of-print (ahead-of-print), p.1-12

2023

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Absolute binding free energies of mucroporin and its analog mucroporin-M1 with the heptad repeat 1 domain and RNA-dependent RNA polymerase of SARS-CoV-2

Journal of biomolecular structure & dynamics, 2023-09, Vol.41 (14), p.6957-6968

2023

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Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants

Advances in Physical Chemistry, 2012-01, Vol.2012 (2012), p.260-273

2012

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Applying local interpretable model-agnostic explanations to identify substructures that are responsible for mutagenicity of chemical compounds

Molecular systems design & engineering, 2024-08, Vol.9 (9), p.920-936

2024

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Stingless bee Trigona spinipes (Hymenoptera: Apidae) behavior on chayote flowers (Sechium edule)

Acta scientiarum. Animal sciences, 2022-09, Vol.45 (1), p.e56760

2022

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Molecular Modeling: Advancements and Applications

Journal of chemistry, 2013-01, Vol.2013 (1)

2013

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ITP Adjuster 1.0 : A New Utility Program to Adjust Charges in the Topology Files Generated by the PRODRG Server

Journal of chemistry, 2013-01, Vol.2013 (2013), p.1-6

2013

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Theoretical and Experimental Study of Negative LiF Clusters Produced by Fast Ion Impact on a Polycrystalline 7LiF Target

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.15031-15040

2009

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Transposition of polymer-encapsulated small interfering RNA through lung surfactant models at the air-water interface

Chemical physics, 2022-11, Vol.563, p.111704, Article 111704

2022

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The reconciliation between the experimental and calculated octanol-water partition coefficient of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using atomistic molecular dynamics: an open question

Journal of biomolecular structure & dynamics, 2023, Vol.ahead-of-print (ahead-of-print), p.1-8

2023

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Molecular Modeling and Spectroscopic Studies on the Interaction of Transresveratrol with Bovine Serum Albumin

Journal of chemistry, 2013-01, Vol.2013 (1)

2013

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Molecular Docking, Molecular Dynamics, and In Silico Prediction of the Toxic Potential of Primaquine Thiazolidinone Derivatives

Letters in drug design & discovery, 2017-03, Vol.14 (3), p.345-353

2017

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On the Difference between Self-Assembling Process of Monomeric and Dimeric Surfactants with the Same Head to Tail Ratio : A Lattice Monte Carlo Simulation

Journal of chemistry, 2013-01, Vol.2013 (2013), p.1-7

2013

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Influence of Pyrazine Ring Doping on the 15 N and 11 B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube: A DFT Study

Journal of chemistry, 2013-01, Vol.2013 (1)

2013

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Influence of Pyrazine Ring Doping on the 15N and 11B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube : A DFT Study

Journal of chemistry, 2013-01, Vol.2013 (2013), p.1-10

2013

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Docking and molecular dynamics studies of new potential inhibitors of the human epidermal receptor 2

Molecular simulation, 2012-11, Vol.38 (13), p.1132-1142

2012

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Recent Open Issues in Coarse Grained Force Fields

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5881-5884

2020

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Structure and Thermotropic Behavior of Bovine- and Porcine-Derived Exogenous Lung Surfactants

Do Large Language Models Understand Chemistry? A Conversation with ChatGPT

Molecular Modeling Study of Uncharged Oximes Compared to HI‑6 and 2‑PAM Inside Human AChE Sarin and VX Conjugates

Bees biodiversity, forage behavior and fruit production in gherkin crop (Cucumis anguria L.)

Hydrophilic But Not Hydrophobic Surfactant Protein Genetic Variants Are Associated With Severe Acute Respiratory Syncytial Virus Infection in Children

Antimalarial activity and mechanisms of action of two novel 4-aminoquinolines against chloroquine-resistant parasites

New insights into exogenous surfactant as a carrier of pulmonary therapeutics

Lung surfactant negatively affects the photodynamic inactivation of bacteria-in vitro and molecular dynamic simulation analyses

Absolute binding free energies of the antiviral peptide ATN-161 with protein targets of SARS-CoV-2

Absolute binding free energies of mucroporin and its analog mucroporin-M1 with the heptad repeat 1 domain and RNA-dependent RNA polymerase of SARS-CoV-2

Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants

Applying local interpretable model-agnostic explanations to identify substructures that are responsible for mutagenicity of chemical compounds

Stingless bee Trigona spinipes (Hymenoptera: Apidae) behavior on chayote flowers (Sechium edule)

Molecular Modeling: Advancements and Applications

ITP Adjuster 1.0 : A New Utility Program to Adjust Charges in the Topology Files Generated by the PRODRG Server

Theoretical and Experimental Study of Negative LiF Clusters Produced by Fast Ion Impact on a Polycrystalline 7LiF Target

Transposition of polymer-encapsulated small interfering RNA through lung surfactant models at the air-water interface

The reconciliation between the experimental and calculated octanol-water partition coefficient of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine using atomistic molecular dynamics: an open question

Molecular Modeling and Spectroscopic Studies on the Interaction of Transresveratrol with Bovine Serum Albumin

Molecular Docking, Molecular Dynamics, and In Silico Prediction of the Toxic Potential of Primaquine Thiazolidinone Derivatives

On the Difference between Self-Assembling Process of Monomeric and Dimeric Surfactants with the Same Head to Tail Ratio : A Lattice Monte Carlo Simulation

Influence of Pyrazine Ring Doping on the 15 N and 11 B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube: A DFT Study

Influence of Pyrazine Ring Doping on the 15N and 11B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube : A DFT Study

Docking and molecular dynamics studies of new potential inhibitors of the human epidermal receptor 2

Recent Open Issues in Coarse Grained Force Fields

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