William L. Jorgensen
Yale University
H-index: 133
North America-United States
Top articles of William L. Jorgensen
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Enthalpies and entropies of hydration from Monte Carlo simulations | Physical Chemistry Chemical Physics | William L Jorgensen | 2024 |
Proof-of-concept studies with a computationally designed Mpro inhibitor as a synergistic combination regimen alternative to Paxlovid | Proceedings of the National Academy of Sciences | Christina Papini Irfan Ullah Amalendu P Ranjan Shuo Zhang Qihao Wu | 2024/4/23 |
Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase | Bioorganic & Medicinal Chemistry Letters | Zachary J Carter Klarissa Hollander Krasimir A Spasov Karen S Anderson William L Jorgensen | 2023/3/15 |
Ensemble Geometric Deep Learning of Aqueous Solubility | Journal of Chemical Information and Modeling | Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives William L Jorgensen | 2023/11/22 |
Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors | 2023/2/23 | ||
A High-Throughput, High-Containment Human Primary Epithelial Airway Organ-on-Chip Platform for SARS-CoV-2 Therapeutic Screening | Cells | Christine R Fisher Felix Mba Medie Rebeccah J Luu Robert B Gaibler Thomas J Mulhern | 2023/11/16 |
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers | The Journal of Physical Chemistry B | William L Jorgensen Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives | 2023/12/21 |
MIF modulators | 2023/2/21 | ||
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors | Journal of Chemical Information and Modeling | Anastasia Saar Mohammad M Ghahremanpour Julian Tirado-Rives William L Jorgensen | 2023/11/7 |
Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase | European Journal of Medicinal Chemistry | Giavana R Prucha Sean Henry Klarissa Hollander Zachary J Carter Krasimir A Spasov | 2023/12/15 |
Progress on the Pharmacological Targeting of Janus Pseudokinases | Sean P Henry William L Jorgensen | 2023/8/14 | |
Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same | 2023/12/14 | ||
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease | Journal of Chemical Information and Modeling | Mohammad M Ghahremanpour Anastasia Saar Julian Tirado-Rives William L Jorgensen | 2023/8/10 |
Exploring novel HIV‐1 reverse transcriptase inhibitors with drug‐resistant mutants: A double mutant surprise | Protein Science | Klarissa Hollander Albert H Chan Kathleen M Frey Olivia Hunker Joseph A Ippolito | 2023/12 |
Insights on JAK2 modulation by potent, selective, and cell-permeable pseudokinase-domain ligands | Journal of medicinal chemistry | Maria-Elena Liosi Joseph A Ippolito Sean P Henry Stefan G Krimmer Ana S Newton | 2022/6/2 |
Conversion of a false virtual screen hit into selective JAK2 JH2 domain binders using convergent design strategies | ACS Medicinal Chemistry Letters | Sean P Henry Maria-Elena Liosi Joseph A Ippolito Kara J Cutrona Stefan G Krimmer | 2022/4/21 |
Selective JAK2 Pseudokinase Ligands and Methods of Use | 2022/4/14 | ||
Structural studies and structure activity relationships for novel computationally designed non-nucleoside inhibitors and their interactions with HIV-1 reverse transcriptase | Frontiers in Molecular Biosciences | Kathleen M Frey Nicole Bertoletti Albert H Chan Joseph A Ippolito Mariela Bollini | 2022/2/14 |
Covalent Modification of the JH2 Domain of Janus Kinase 2 | ACS Medicinal Chemistry Letters | Sean P Henry Maria-Elena Liosi Joseph A Ippolito Fabian Menges Ana S Newton | 2022/10/24 |
Long‐acting and extended‐release implant and nanoformulations with a synergistic antiretroviral two‐drug combination controls HIV‐1 infection in a humanized mouse model | Bioengineering & Translational Medicine | Jagadish Beloor Shalley N Kudalkar Gina Buzzelli Fan Yang Hanna K Mandl | 2022/1 |
Co-Authors
