William Jorgensen
Sterling Professor of ChemistryDownloadHi-Res Photo
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Director, Division of Physical Sciences & Engineering
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Titles
Sterling Professor of Chemistry
Director, Division of Physical Sciences & Engineering
Appointments
Chemistry
ProfessorPrimary
Other Departments & Organizations
- Chemistry
- Developmental Therapeutics
- Wu Tsai Institute
- Yale Cancer Center
- Yale Ventures
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Overview
Medical Research Interests
Chemistry
ORCID
0000-0002-3993-9520
Research at a Glance
Yale Co-Authors
Frequent collaborators of William Jorgensen's published research.
Publications Timeline
A big-picture view of William Jorgensen's research output by year.
Karen Anderson, PhD
Priti Kumar, PhD
Brett Lindenbach
Former YSMDavid Spiegel, MD, PhD
Irfan Ullah
Former YSMJason Crawford, PhD
54Publications
2,501Citations
Publications
2025
Polycyclic Aromatic Hydrocarbons: Solvation, Solubility, and Hydrophobic Effects from Monte Carlo Simulations
Jorgensen W, Tirado-Rives J. Polycyclic Aromatic Hydrocarbons: Solvation, Solubility, and Hydrophobic Effects from Monte Carlo Simulations. The Journal Of Physical Chemistry B 2025, 129: 10467-10477. PMID: 40997918, DOI: 10.1021/acs.jpcb.5c05354.Peer-Reviewed Original ResearchCitationsMechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells
Hollander K, Devarkar S, Tang S, Tiwari R, Ma S, Lee W, Denn E, Wang Q, Spasov K, Robbins J, Frey K, Jorgensen W, Xiong Y, Shan L, Anderson K. Mechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells. Npj Drug Discovery 2025, 2: 22. PMID: 40904837, PMCID: PMC12401731, DOI: 10.1038/s44386-025-00025-2.Peer-Reviewed Original ResearchAltmetricFree Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?
Jorgensen W, Tirado-Rives J. Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed? The Journal Of Physical Chemistry B 2025, 129: 6574-6583. PMID: 40530466, DOI: 10.1021/acs.jpcb.5c02405.Peer-Reviewed Original ResearchCitationsAltmetricExploring Possible Drug-Resistant Variants of SARS-CoV‑2 Main Protease (Mpro) with Noncovalent Preclinical Candidate, Mpro61
Kenneson J, Papini C, Tang S, Huynh K, Zhang C, Jorgensen W, Anderson K. Exploring Possible Drug-Resistant Variants of SARS-CoV‑2 Main Protease (Mpro) with Noncovalent Preclinical Candidate, Mpro61. ACS Bio & Med Chem Au 2025, 5: 215-226. PMID: 39990941, PMCID: PMC11843330, DOI: 10.1021/acsbiomedchemau.4c00109.Peer-Reviewed Original ResearchCitations
2024
Prodrug nanotherapy demonstrates in vivo anticryptosporidial efficacy in a mouse model of chronic Cryptosporidium infection
Ranjan A, Czyzyk D, Martinez-Traverso G, Sadiqova A, Valhondo M, Schaefer D, Spasov K, Jorgensen W, Vishwanatha J, Riggs M, Castellanos-Gonzalez A, Anderson K. Prodrug nanotherapy demonstrates in vivo anticryptosporidial efficacy in a mouse model of chronic Cryptosporidium infection. RSC Pharmaceutics 2024, 1: 963-975. PMID: 39372445, PMCID: PMC11447440, DOI: 10.1039/d4pm00093e.Peer-Reviewed Original ResearchCitationsThe Beginnings of JCTC
Jorgensen W. The Beginnings of JCTC. Journal Of Chemical Theory And Computation 2024, 20: 7692-7693. PMID: 39315606, DOI: 10.1021/acs.jctc.4c01146.Commentaries, Editorials and LettersAltmetricMonte Carlo simulations for free energies of hydration: Past to present
Jorgensen W. Monte Carlo simulations for free energies of hydration: Past to present. The Journal Of Chemical Physics 2024, 161: 064111. PMID: 39136662, PMCID: PMC11324328, DOI: 10.1063/5.0222659.Peer-Reviewed Original ResearchCitationsProof-of-concept studies with a computationally designed Mpro inhibitor as a synergistic combination regimen alternative to Paxlovid
Papini C, Ullah I, Ranjan A, Zhang S, Wu Q, Spasov K, Zhang C, Mothes W, Crawford J, Lindenbach B, Uchil P, Kumar P, Jorgensen W, Anderson K. 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 Of The United States Of America 2024, 121: e2320713121. PMID: 38621119, PMCID: PMC11046628, DOI: 10.1073/pnas.2320713121.Peer-Reviewed Original ResearchCitationsAltmetricEnthalpies and entropies of hydration from Monte Carlo simulations
Jorgensen W. Enthalpies and entropies of hydration from Monte Carlo simulations. Physical Chemistry Chemical Physics 2024, 26: 8141-8147. PMID: 38412420, PMCID: PMC10916384, DOI: 10.1039/d4cp00297k.Peer-Reviewed Original ResearchCitationsAltmetric
2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers
Jorgensen W, Ghahremanpour M, Saar A, Tirado-Rives J. OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. The Journal Of Physical Chemistry B 2023, 128: 250-262. PMID: 38127719, DOI: 10.1021/acs.jpcb.3c06602.Peer-Reviewed Original ResearchCitationsAltmetric
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