Dean M. Philipp

机构：Schrodinger (United States)

发表论文 18 篇 · 总被引 4806 次 · h-index 12

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)
• Integrated Modeling Program, Applied Chemical Theory (IMPACT) (2005 · Journal of Computational Chemistry · 被引 1514)
• A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments (2000 · Journal of Computational Chemistry · 被引 423)
• Mixedab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide (1999 · Journal of Computational Chemistry · 被引 304)
• Automated Transition State Search and Its Application to Diverse Types of Organic Reactions (2017 · Journal of Chemical Theory and Computation · 被引 177)
• Multiconformation, Density Functional Theory-Based p<i>K</i>_a Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups (2016 · Journal of Chemical Theory and Computation · 被引 160)