David Rinaldo

机构：Schrodinger (United States), Schrodinger (United States) · ORCID：0000-0002-7151-4776

发表论文 19 篇 · 总被引 2335 次 · h-index 9

代表论文

• Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences (2013 · International Journal of Quantum Chemistry · 被引 1803)
• Automated Transition State Search and Its Application to Diverse Types of Organic Reactions (2017 · Journal of Chemical Theory and Computation · 被引 177)
• Intermediates in Dioxygen Activation by Methane Monooxygenase:  A QM/MM Study (2007 · Journal of the American Chemical Society · 被引 113)
• Extension of QM/MM docking and its applications to metalloproteins (2009 · Journal of Computational Chemistry · 被引 67)
• A Computational Study of the Open and Closed Forms of the N-Lobe Human Serum Transferrin Apoprotein (2003 · Biophysical Journal · 被引 54)
• Density functional localized orbital corrections for transition metals (2008 · The Journal of Chemical Physics · 被引 48)