Jennifer L. Knight

According to our database, Jennifer L. Knight authored at least 6 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors.

Pieter H. Bos, Fabio Ranalli, Emelie Flood, Shawn Watts, Daigo Inoyama, Jennifer L. Knight, Anthony J. Clark, Andrew Placzeck, Jiashi Wang, Aleksey I. Gerasyuto, Sarah Silvergleid, Wu Yin, Shaoxian Sun, Robert Abel, Sathesh Bhat

J. Chem. Inf. Model., 2024

2013

Assessing the quality of absolute hydration free energies among CHARMM-compatible ligand parameterization schemes.

Jennifer L. Knight, Joseph D. Yesselman, Charles L. Brooks III

J. Comput. Chem., 2013

2012

MATCH: An atom-typing toolset for molecular mechanics force fields.

Joseph D. Yesselman, Daniel J. Price, Jennifer L. Knight, Charles L. Brooks III

J. Comput. Chem., 2012

2011

Applying efficient implicit nongeometric constraints in alchemical free energy simulations.

Jennifer L. Knight, Charles L. Brooks III

J. Comput. Chem., 2011

Surveying implicit solvent models for estimating small molecule absolute hydration free energies.

Jennifer L. Knight, Charles L. Brooks III

J. Comput. Chem., 2011

2009

lambda-Dynamics free energy simulation methods.

Jennifer L. Knight, Charles L. Brooks III

J. Comput. Chem., 2009