Bernhardt L Trout

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 11

Top Topics

Molecular Dynamics

Machine Learning

Top Venues

The journal of physical chemistry. B

Molecular pharmaceutics

The Journal of chemical physics

The Journal of pharmacy and pharmacology

This page only lists publications with an associated author ORCID identifier.

Publications

Muhammad A Hagras, Ryan A Marek, Feras Hatahet, Bernhardt L Trout
Computational Modeling for the Oxidation Reactions of the Cysteine Residues with the Superoxide and the Organic Radical Species. The journal of physical chemistry. B 126 (32) (2022)
Pin-Kuang Lai, Amendra Fernando, Theresa K Cloutier, Yatin Gokarn, Jifeng Zhang, Walter Schwenger, Ravi Chari, Cesar Calero-Rubio, Bernhardt L Trout
Machine Learning Applied to Determine the Molecular Descriptors Responsible for the Viscosity Behavior of Concentrated Therapeutic Antibodies. Molecular pharmaceutics 18 (3) (2021)
Theresa K Cloutier, Chaitanya Sudrik, Neil Mody, Hasige A Sathish, Bernhardt L Trout
Machine Learning Models of Antibody-Excipient Preferential Interactions for Use in Computational Formulation Design. Molecular pharmaceutics 17 (9) (2020)
Muhammad A Hagras, Michael A Bellucci, Gianpaolo Gobbo, Ryan A Marek, Bernhardt L Trout
Computational Modeling of the Disulfide Cross-Linking Reaction. The journal of physical chemistry. B 124 (44) (2020)
Chaitanya M Sudrik, Theresa Cloutier, Neil Mody, Hasige A Sathish, Bernhardt L Trout
Understanding the Role of Preferential Exclusion of Sugars and Polyols from Native State IgG1 Monoclonal Antibodies and its Effect on Aggregation and Reversible Self-Association. Pharmaceutical research 36 (8) (2019)
Michael A Bellucci, Gianpaolo Gobbo, Tharanga K Wijethunga, Giovanni Ciccotti, Bernhardt L Trout
Solubility of paracetamol in ethanol by molecular dynamics using the extended Einstein crystal method and experiments. The Journal of chemical physics 150 (9) (2019)
Theresa K Cloutier, Chaitanya Sudrik, Neil Mody, Hasige A Sathish, Bernhardt L Trout
Molecular Computations of Preferential Interaction Coefficients of IgG1 Monoclonal Antibodies with Sorbitol, Sucrose, and Trehalose and the Impact of These Excipients on Aggregation and Viscosity. Molecular pharmaceutics 16 (8) (2019)
Theresa K Cloutier, Chaitanya Sudrik, Hasige A Sathish, Bernhardt L Trout
Kirkwood-Buff-Derived Alcohol Parameters for Aqueous Carbohydrates and Their Application to Preferential Interaction Coefficient Calculations of Proteins. The journal of physical chemistry. B 122 (40) (2018)
Tharanga K Wijethunga, Jelena Stojaković, Michael A Bellucci, Xingyu Chen, Allan S Myerson, Bernhardt L Trout
General Method for the Identification of Crystal Faces Using Raman Spectroscopy Combined with Machine Learning and Application to the Epitaxial Growth of Acetaminophen. Langmuir : the ACS journal of surfaces and colloids 34 (33) (2018)
Gianpaolo Gobbo, Michael A Bellucci, Gareth A Tribello, Giovanni Ciccotti, Bernhardt L Trout
Nucleation of Molecular Crystals Driven by Relative Information Entropy. Journal of chemical theory and computation 14 (2) (2018)
Jehoon Kim, Mark R H Krebs, Bernhardt L Trout
Retracted: Molecular characterization of excipients' preferential interactions with therapeutic monoclonal antibodies. The Journal of pharmacy and pharmacology 70 (2) (2017)