William Jorgensen

Yale University

United States

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Articles (20)

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2025

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2020

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2020

Collaborators (6)

Joseph Schlessinger

Yale University

UNITED STATES

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Elizabeth Stone

Assistant Professor

Fairfield University

UNITED STATES

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Ya-Chi Ho

Assistant Professor

Yale University

UNITED STATES

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amalendu ranjan

Assistant Professor

University of Tennessee Health Science Center

UNITED STATES

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Julian Tirado-Rives

Yale University

UNITED STATES

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Stefan Krimmer

Yale University

UNITED STATES

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William Jorgensen

Research Interests

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Articles (20)

Polycyclic Aromatic Hydrocarbons: Solvation, Solubility, and Hydrophobic Effects from Monte Carlo Simulations

Free Energies of Solvation in Benzene and Hexafluorobenzene: Is Explicit Polarization Needed?

Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (Mpro) with Noncovalent Preclinical Candidate, Mpro61

The Beginnings of JCTC

Monte Carlo simulations for free energies of hydration: Past to present

Enthalpies and entropies of hydration from Monte Carlo simulations

Prodrug nanotherapy demonstrates in vivo anticryptosporidial efficacy in a mouse model of chronic Cryptosporidium infection

Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main Protease

Progress on the Pharmacological Targeting of Janus Pseudokinases

OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers

Exploring novel HIV‐1 reverse transcriptase inhibitors with drug‐resistant mutants: A double mutant surprise

Ensemble Geometric Deep Learning of Aqueous Solubility

Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies

Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands

Covalent Modification of the JH2 Domain of Janus Kinase 2

Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes

Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease

A Reflection on Norman Louis Allinger

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

Explicit Representation of Cation−π Interactions in Force Fields with 1/r4 Nonbonded Terms

Collaborators (6)

Joseph Schlessinger

Elizabeth Stone

Ya-Chi Ho

amalendu ranjan

Julian Tirado-Rives

Stefan Krimmer

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