Daniel F. Ortwine

Publication Activity (10 Years)

Years Active: 2015-2019
Publications (10 Years): 5

Top Topics

Computational Chemistry

Protein Protein

Water Distribution

Top Venues

J. Comput. Aided Mol. Des.

Publications

Eva Nittinger, Paul Gibbons, Charles Eigenbrot, Doug R. Davies, Brigitte Maurer, Christine L. Yu, James R. Kiefer, Andreas Kuglstatter, Jeremy Murray, Daniel F. Ortwine, Yong Tang, Vickie Tsui
Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des. 33 (3) (2019)
Vickie Tsui, Daniel F. Ortwine, Jeffrey M. Blaney
Enabling drug discovery project decisions with integrated computational chemistry and informatics. J. Comput. Aided Mol. Des. 31 (3) (2017)
Ariën S. Rustenburg, Justin Dancer, Baiwei Lin, Jianwen A. Feng, Daniel F. Ortwine, David L. Mobley, John D. Chodera
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge. J. Comput. Aided Mol. Des. 30 (11) (2016)
Jianwen A. Feng, Ignacio Aliagas, Philippe Bergeron, Jeffrey M. Blaney, Erin K. Bradley, Michael F. T. Koehler, Man-Ling Lee, Daniel F. Ortwine, Vickie Tsui, Johnny Wu, Alberto Gobbi
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design. J. Comput. Aided Mol. Des. 29 (6) (2015)
Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery. J. Comput. Aided Mol. Des. 29 (4) (2015)