Daniel F. Ortwine

According to our database, Daniel F. Ortwine authored at least 5 papers between 2015 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.

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

J. Comput. Aided Mol. Des., 2019

2017

Enabling drug discovery project decisions with integrated computational chemistry and informatics.

Vickie Tsui, Daniel F. Ortwine, Jeffrey M. Blaney

J. Comput. Aided Mol. Des., 2017

2016

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.

Ariën S. Rustenburg, Justin Dancer, Baiwei Lin, Jianwen A. Feng, Daniel F. Ortwine, David L. Mobley, John D. Chodera

J. Comput. Aided Mol. Des., 2016

2015

An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.

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

J. Comput. Aided Mol. Des., 2015

A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.

Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh

J. Comput. Aided Mol. Des., 2015