Vasanthanathan Poongavanam
Researcher at Institutionen för kemi - BMC; Organisk kemi; Kihlberg grupp
- E-mail:
- vasanthanathan.poongavanam@kemi.uu.se
- Visiting address:
- Husargatan 3
752 37 Uppsala - Postal address:
- Box 576
75123 Uppsala
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Publications
Selection of publications
- Conformational Sampling of Macrocyclic Drugs in Different Environments (2018)
- Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space (2018)
- Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design (2018)
- Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 (2018)
- Toward the Design of Molecular Chameleons (2018)
Recent publications
- Macrocycles in Drug Discovery?Learning from the Past for the Future (2023)
- Predictive Modeling of PROTAC Cell Permeability with Machine Learning (2023)
- Simulation Reveals the Chameleonic Behavior of Macrocycles (2023)
- Going Viral (2023)
- Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br (2022)
All publications
Articles
- Macrocycles in Drug Discovery?Learning from the Past for the Future (2023)
- Predictive Modeling of PROTAC Cell Permeability with Machine Learning (2023)
- Simulation Reveals the Chameleonic Behavior of Macrocycles (2023)
- Going Viral (2023)
- Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br (2022)
- PROTAC cell permeability and oral bioavailability (2022)
- Enhancing preclinical drug discovery with artificial intelligence (2022)
- Solution Conformations Shed Light on PROTAC Cell Permeability (2021)
- Cell Permeability of Isomeric Macrocycles (2021)
- Mining Natural Products for Macrocycles to Drug Difficult Targets (2021)
- Steering New Drug Discovery Campaigns (2021)
- Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs (2020)
- Solubility prediction in the bRo5 chemical space (2020)
- Predicting the permeability of macrocycles from conformational sampling – limitations of molecular flexibility (2020)
- Drug Syntheses Beyond the Rule of 5 (2020)
- Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1 (2020)
- Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments (2019)
- Computational Modeling Explains the Multi Sterol Ligand Specificity of the N-Terminal Domain of Niemann-Pick C1-Like 1 Protein (2019)
- Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors (2018)
- Conformational Sampling of Macrocyclic Drugs in Different Environments (2018)
- Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space (2018)
- Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design (2018)
- Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 (2018)
- Toward the Design of Molecular Chameleons (2018)
Conferences
