Edward Harder

机构：Schrodinger (United States) · ORCID：0000-0001-9213-787X

发表论文 54 篇 · 总被引 13493 次 · h-index 32

代表论文

• OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space (2021 · Journal of Chemical Theory and Computation · 被引 1956)
• OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules (2019 · Journal of Chemical Theory and Computation · 被引 1282)
• The maximal and current accuracy of rigorous protein-ligand binding free energy calculations (2023 · Communications Chemistry · 被引 156)
• CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed (2024 · The Journal of Physical Chemistry B · 被引 116)
• Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo (2020 · Journal of Chemical Theory and Computation · 被引 109)
• Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions (2022 · Journal of Chemical Theory and Computation · 被引 57)