Precise binding free energy calculations are crucial for efficient drug discovery. Traditional methods struggle with large chemical transformations, leading to errors and inefficiencies.

The modern periodic table, arranged in rows and columns, was first introduced by Dmitri Mendeleev in 1869. At the time, it included the known elements and their properties, but Mendeleev predicted ...

FIGURE 2. MM-PBSA thermodynamic cycle. The binding free energy in aqueous environment is calculated as the difference between the sum of binding in vacuum and solvating the complex with solvating the ...

Feb. 4, 2025 — Advances in nanotechnology may provide solutions to oil spill cleanups in coastal regions that are more effective, safer and work much faster than current methods, according to a ...

Feb. 7, 2025 — An expert in energy technologies uses AI tools to investigate the impact of extreme weather on solar-powered and electrified homes and uncover their unique vulnerabilities and ...

We here consider the general problem of receptor–ligand binding in the context of antibody–antigen binding ... The boundary condition at the outer boundary of the environment was chosen to be ...

Maintaining good energy metabolism is key to fighting fatigue and supporting mental health. Vitamins like B complex are crucial for energy production, while essential minerals like iron can also ...

Chevron Chairman and CEO Mike Wirth says the company is talking to the Trump administration about doing business in Venezuela. Chevron is the only major oil producer with a waiver to operate there ...

Ubiquitin-binding domains (UBDs) are modular elements that bind non-covalently to the protein modifier ubiquitin. Specific ubiquitin–UBD interactions are crucial for the regulation of multiple ...

If you are feeling drained, you may wonder how to increase your energy levels. You can get plenty of sleep, eat energizing foods, and exercise regularly to feel more energized. It's no wonder so ...