Kristina A. Paris

The AGBNP2 Implicit Solvation Model

Emilio Gallicchio, Kristina A. Paris, Ronald M. Levy · Journal of Chemical Theory and Computation · 2009 · 118 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

Anthony K. Felts, Emilio Gallicchio, Dmitriy S. Chekmarev et al. · Journal of Chemical Theory and Computation · 2008 · 63 citations · Full text

Life Sciences, Biophysics, Molecular Biology +17

Conformational Landscape of the Human Immunodeficiency Virus Type 1 Reverse Transcriptase Non-Nucleoside Inhibitor Binding Pocket: Lessons for Inhibitor Design from a Cluster Analysis of Many Crystal Structures

Kristina A. Paris, Omar Haq, Anthony K. Felts et al. · Journal of Medicinal Chemistry · 2009 · 34 citations · Full text

Life Sciences, Biophysics, Medicinal Chemistry +16

Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein

Mariana Sacerdoti, Lissy Z. F. Gross, Andrew M. Riley et al. · Science Signaling · 2023 · 15 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods

Kathleen M. Gilbert, William J. Skawinski, Milind Misra et al. · Journal of Computer-Aided Molecular Design · 2004 · 14 citations

Natural Sciences, Chemistry, Pharmacology +15