Raymond J. Unwalla

Publication Activity (10 Years)

Years Active: 1994-2019
Publications (10 Years): 1

Top Topics

Molecular Structures

Protein Protein

Chemical Reactions

Top Venues

J. Chem. Inf. Model.

Publications

Brajesh K. Rai, Vishnu Sresht, Qingyi Yang, Raymond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations. J. Chem. Inf. Model. 59 (10) (2019)
Yongbo Hu, Raymond J. Unwalla, R. Aldrin Denny, Jack Bikker, Li Di, Christine Humblet
Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability. J. Comput. Aided Mol. Des. 24 (1) (2010)
Raymond J. Unwalla, Jason B. Cross, Sumeet Salaniwal, Adam D. Shilling, Louis Leung, John Kao, Christine Humblet
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism. J. Comput. Aided Mol. Des. 24 (3) (2010)
Kristi Yi Fan, Raymond J. Unwalla, Rajiah A. Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. J. Chem. Inf. Model. 50 (6) (2010)
Salvatore Profeta Jr., Raymond J. Unwalla, Daniel J. Russell
Relative Energies and Structural Features of Small Amines and Their Ammonium Analogs: Results From 6-31G* Optimizations and an Mm2 Ammonium Force Field. Int. J. High Perform. Comput. Appl. 8 (1) (1994)