C. David Sherrill

According to our database, C. David Sherrill authored at least 6 papers between 2001 and 2024.

Collaborative distances:

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

2024

Directional Δ<i>G</i> Neural Network (DrΔ<i>G</i>-Net): A Modular Neural Network Approach to Binding Free Energy Prediction.

Derek P. Metcalf, Zachary L. Glick, Andrea Bortolato, Andy Jiang, Daniel L. Cheney, C. David Sherrill

J. Chem. Inf. Model., 2024

2023

High-Order Quantum-Mechanical Analysis of Hydrogen Bonding in Hachimoji and Natural DNA Base Pairs.

Rameshwar L. Kumawat, C. David Sherrill

J. Chem. Inf. Model., May, 2023

2021

Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge.

Derek P. Metcalf, Andy Jiang, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill

J. Chem. Inf. Model., 2021

2009

Assessment of standard force field models against high-quality <i>ab initio</i> potential curves for prototypes of pi-pi, CH/pi, and SH/pi interactions.

C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould

J. Comput. Chem., 2009

2007

PSI3: An open-source <i>Ab Initio</i> electronic structure package.

T. Daniel Crawford, C. David Sherrill, Edward F. Valeev, Justin T. Fermann, Rollin A. King, Matthew L. Leininger, Shawn T. Brown, Curtis L. Janssen, Edward T. Seidl, Joseph P. Kenny, Wesley D. Allen

J. Comput. Chem., 2007

2001

Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices.

Matthew L. Leininger, C. David Sherrill, Wesley D. Allen, Henry F. Schaefer III

J. Comput. Chem., 2001