Jack A. Henderson

GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

Julie A. Harris, Ruibin Liu, Vinícius M. de Oliveira et al. · Journal of Chemical Theory and Computation · 2022 · 99 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Proton-Coupled Conformational Activation of SARS Coronavirus Main Proteases and Opportunity for Designing Small-Molecule Broad-Spectrum Targeted Covalent Inhibitors

Neha Verma, Jack A. Henderson, Jana Shen · Journal of the American Chemical Society · 2020 · 92 citations · Full text

Natural Sciences, Chemistry, Pharmacology +11

Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors

Jack A. Henderson, Neha Verma, Robert C. Harris et al. · The Journal of Chemical Physics · 2020 · 67 citations · Full text

Life Sciences, Biochemistry, Medicinal Chemistry +17

Predicting Catalytic Proton Donors and Nucleophiles in Enzymes: How Adding Dynamics Helps Elucidate the Structure–Function Relationships

Yandong Huang, Zhi Yue, Cheng‐Chieh Tsai et al. · The Journal of Physical Chemistry Letters · 2018 · 55 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

Two step exercise test as a test of cardiac function in chronic rheumatic heart disease and in arteriosclerotic heart disease with old myocardial infarction

Herman K. Hellerstein, George B. Prozan, Irving M. Liebow et al. · The American Journal of Cardiology · 1961 · 43 citations

Medicine, Cardiology, Exercise Physiology +13