Shakhawath Hossain

Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus

Tjakra, Marco; Lidayová, Kristína; Avenel, Christophe; Bergström, Christel et al.

Ingår i Journal of Nanobiotechnology, 2025

• DOI för Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus
• Ladda ner fulltext (pdf) av Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus

Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane

Altun, Diyar; Larsson, Per; Bergström, Christel; Hossain, Md Shakhawath

Ingår i Chemistry and Physics of Lipids, 2024

• DOI för Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane
• Ladda ner fulltext (pdf) av Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane

Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Naranjani, Benyamin; Sinko, Patrick D.; Bergström, Christel; Gogoll, A et al.

Ingår i International Journal of Biological Macromolecules, 2023

• DOI för Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer
• Ladda ner fulltext (pdf) av Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts

Hossain, Md Shakhawath; Kneiszl, Rosita C.; Larsson, Per

Ingår i Nanoscale, s. 19180-19195, 2023

• DOI för Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts
• Ladda ner fulltext (pdf) av Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts

Voices in Molecular Pharmaceutics: Meet Dr. Shakhawath Hossain, a Computational Pharmaceutics Expert Seeking to Improve Delivery of Poorly Permeable Molecules

Hossain, Md Shakhawath

Ingår i Molecular Pharmaceutics, s. 4800-4801, 2023

• DOI för Voices in Molecular Pharmaceutics: Meet Dr. Shakhawath Hossain, a Computational Pharmaceutics Expert Seeking to Improve Delivery of Poorly Permeable Molecules

Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus

Tjakra, Marco; Lidayová, Kristína; Avenel, Christophe; Bergström, Christel et al.

Ingår i Journal of Nanobiotechnology, 2025

• DOI för Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus
• Ladda ner fulltext (pdf) av Machine learning framework for investigating nano- and micro-scale particle diffusion in colonic mucus

Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane

Altun, Diyar; Larsson, Per; Bergström, Christel; Hossain, Md Shakhawath

Ingår i Chemistry and Physics of Lipids, 2024

• DOI för Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane
• Ladda ner fulltext (pdf) av Molecular dynamics simulations of lipid composition and its impact on structural and dynamic properties of skin membrane

Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Naranjani, Benyamin; Sinko, Patrick D.; Bergström, Christel; Gogoll, A et al.

Ingår i International Journal of Biological Macromolecules, 2023

• DOI för Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer
• Ladda ner fulltext (pdf) av Numerical simulation of peristalsis to study co-localization and intestinal distribution of a macromolecular drug and permeation enhancer

Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts

Hossain, Md Shakhawath; Kneiszl, Rosita C.; Larsson, Per

Ingår i Nanoscale, s. 19180-19195, 2023

• DOI för Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts
• Ladda ner fulltext (pdf) av Revealing the interaction between peptide drugs and permeation enhancers in the presence of intestinal bile salts

Voices in Molecular Pharmaceutics: Meet Dr. Shakhawath Hossain, a Computational Pharmaceutics Expert Seeking to Improve Delivery of Poorly Permeable Molecules

Hossain, Md Shakhawath

Ingår i Molecular Pharmaceutics, s. 4800-4801, 2023

• DOI för Voices in Molecular Pharmaceutics: Meet Dr. Shakhawath Hossain, a Computational Pharmaceutics Expert Seeking to Improve Delivery of Poorly Permeable Molecules

In Silico-Based Experiments on Mechanistic Interactions between Several Intestinal Permeation Enhancers with a Lipid Bilayer Model

Kneiszl, Rosita C.; Hossain, Md Shakhawath; Larsson, Per

Ingår i Molecular Pharmaceutics, s. 124-137, 2022

• DOI för In Silico-Based Experiments on Mechanistic Interactions between Several Intestinal Permeation Enhancers with a Lipid Bilayer Model
• Ladda ner fulltext (pdf) av In Silico-Based Experiments on Mechanistic Interactions between Several Intestinal Permeation Enhancers with a Lipid Bilayer Model

Explicit-pH Coarse-Grained Molecular Dynamics Simulations Enable Insights into Restructuring of Intestinal Colloidal Aggregates with Permeation Enhancers

Hossain, Md Shakhawath; Parrow, Albin; Kabedev, Aleksei; Kneiszl, Rosita C. et al.

Ingår i Processes, s. 29, 2022

• DOI för Explicit-pH Coarse-Grained Molecular Dynamics Simulations Enable Insights into Restructuring of Intestinal Colloidal Aggregates with Permeation Enhancers
• Ladda ner fulltext (pdf) av Explicit-pH Coarse-Grained Molecular Dynamics Simulations Enable Insights into Restructuring of Intestinal Colloidal Aggregates with Permeation Enhancers

Membrane insertion mechanism of the caveola coat protein Cavin1

Liu, Kang-Cheng; Pace, Hudson; Larsson, Elin; Hossain, Md Shakhawath et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, 2022

• DOI för Membrane insertion mechanism of the caveola coat protein Cavin1
• Ladda ner fulltext (pdf) av Membrane insertion mechanism of the caveola coat protein Cavin1

Aggregation Behavior of Structurally Similar Therapeutic Peptides Investigated by H-1 NMR and All-Atom Molecular Dynamics Simulations

Hjalte, Johanna; Hossain, Md Shakhawath; Hugerth, Andreas; Sjogren, Helen et al.

Ingår i Molecular Pharmaceutics, s. 904-917, 2022

• DOI för Aggregation Behavior of Structurally Similar Therapeutic Peptides Investigated by H-1 NMR and All-Atom Molecular Dynamics Simulations
• Ladda ner fulltext (pdf) av Aggregation Behavior of Structurally Similar Therapeutic Peptides Investigated by H-1 NMR and All-Atom Molecular Dynamics Simulations

TIRF Microscopy‐Based Monitoring of Drug Permeation Across a Lipid Membrane Supported on Mesoporous Silica

Joyce, Paul; Jõemetsa, Silver; Isaksson, Simon; Hossain, Shakhawath et al.

Ingår i Angewandte Chemie International Edition, s. 2069-2073, 2021

• DOI för TIRF Microscopy‐Based Monitoring of Drug Permeation Across a Lipid Membrane Supported on Mesoporous Silica
• Ladda ner fulltext (pdf) av TIRF Microscopy‐Based Monitoring of Drug Permeation Across a Lipid Membrane Supported on Mesoporous Silica

Molecular dynamics simulations reveal membrane interactions for poorly water-soluble drugs: impact of bile solubilization and drug aggregation

Kabedev, Aleksei; Hossain, Shakhawath; Hubert, Madlen; Larsson, Per et al.

Ingår i Journal of Pharmaceutical Sciences, s. 176-185, 2021

• DOI för Molecular dynamics simulations reveal membrane interactions for poorly water-soluble drugs: impact of bile solubilization and drug aggregation
• Ladda ner fulltext (pdf) av Molecular dynamics simulations reveal membrane interactions for poorly water-soluble drugs: impact of bile solubilization and drug aggregation

Influence of Bile Composition on Membrane Incorporation of Transient Permeability Enhancers

Hossain, Shakhawath; Joyce, Paul; Parrow, Albin; Jõemetsa, Silver et al.

Ingår i Molecular Pharmaceutics, s. 4226-4240, 2020

• DOI för Influence of Bile Composition on Membrane Incorporation of Transient Permeability Enhancers
• Ladda ner fulltext (pdf) av Influence of Bile Composition on Membrane Incorporation of Transient Permeability Enhancers

Uniaxial compression of three-dimensional entangled fibre networks: impacts of contact interactions

Hossain, Md Shakhawath; Bergström, Per; Uesaka, Tetsu

Ingår i Modelling and Simulation in Materials Science and Engineering, 2019

• DOI för Uniaxial compression of three-dimensional entangled fibre networks: impacts of contact interactions

Aggregation Behavior of Medium Chain Fatty Acids Studied by Coarse-Grained Molecular Dynamics Simulation

Hossain, Md Shakhawath; Berg, Staffan; Bergström, Christel; Larsson, Per

Ingår i AAPS PharmSciTech, 2019

• DOI för Aggregation Behavior of Medium Chain Fatty Acids Studied by Coarse-Grained Molecular Dynamics Simulation
• Ladda ner fulltext (pdf) av Aggregation Behavior of Medium Chain Fatty Acids Studied by Coarse-Grained Molecular Dynamics Simulation

Scaling behaviour of strength of 3D-, semi-flexible-, cross-linked fibre network

Bergström, Per; Hossain, Md Shakhawath; Uesaka, Tetsu

Ingår i International Journal of Solids and Structures, s. 68-74, 2019

• DOI för Scaling behaviour of strength of 3D-, semi-flexible-, cross-linked fibre network

Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development

Salo-Ahen, Outi M. H.; Alanko, Ida; Bhadane, Rajendra; Bonvin, Alexandre M. J. J. et al.

Ingår i Processes, 2021

• DOI för Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
• Ladda ner fulltext (pdf) av Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development

Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning

Hossain, Md Shakhawath; Kabedev, Aleksei; Parrow, Albin; Bergström, Christel et al.

Ingår i European journal of pharmaceutics and biopharmaceutics, s. 46-55, 2019

• DOI för Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning
• Ladda ner fulltext (pdf) av Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning

Molecular Dynamics Simulations as a Tool to Understand Drug Solubilization in Pharmaceutical Systems

Kabedev, Aleksei; Hossain, Md Shakhawath; Larsson, Per

Ingår i Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, 2023

• DOI för Molecular Dynamics Simulations as a Tool to Understand Drug Solubilization in Pharmaceutical Systems

Concentration-dependent effects from the permeation enhancers capric acid and SNAC on peptide permeability

Kneiszl, Rosita; Hossain, Md Shakhawath; Larsson, Per

Molecular dynamic simulations of a hexagonal liquid crystal phase to study drug partitioning and release mechanisms

Altun, Diyar; He, Xiguo; Bergström, Christel; Hubert, Madlen et al.