David A. Case

发表

The implementation of a fast and accurate QM/MM potential method in Amber

Ross C. Walker, Michael F. Crowley, David A. Case, 2008, J. Comput. Chem..

Effective Born radii in the generalized Born approximation: The importance of being perfect

David A. Case, Alexey Onufriev, Donald Bashford, 2002, J. Comput. Chem..

Fabrication and Deployment Testing of Solar Sail Quadrants for a 20-Meter Solar Sail Ground Test System Demonstration

James D. Moore, David A. Case, Greg Laue, 2005 .

Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"Journal of Computational Chemistry(2004) 25(9) 1157–1174

Junmei Wang, Peter A. Kollman, David A. Case, 2005, J. Comput. Chem..

Second derivatives in generalized Born theory

David A. Case, Russell A. Brown, D. Case, 2006, J. Comput. Chem..

DOCK 6: Impact of new features and current docking performance

William J. Allen, Irwin D. Kuntz, Sudipto Mukherjee, 2015, J. Comput. Chem..

A Grid-enabled web portal for NMR structure refinement with AMBER

Antonio Rosato, Andrea Giachetti, David A. Case, 2011, Bioinform..

The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP

Yuan Hu, Darrin M. York, David A. Case, 2016, Journal of Computer-Aided Molecular Design.

Soft‐core potentials in thermodynamic integration: Comparing one‐ and two‐step transformations

David A. Case, Thomas Steinbrecher, InSuk Joung, 2011, J. Comput. Chem..

The Amber biomolecular simulation programs

Holger Gohlke, Ray Luo, Bing Wang, 2005, J. Comput. Chem..

Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf

Holger Gohlke, David A. Case, D. Case, 2004, J. Comput. Chem..

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

Charles L. Brooks, David A. Case, Michael Feig, 2004, J. Comput. Chem..

Biomolecular Simulation Using Amber and CHARMM

Charles L. Brooks, David A. Case, 2004 .

Development and testing of a general amber force field

Junmei Wang, Peter A. Kollman, David A. Case, 2004, J. Comput. Chem..

Evaluation of DOCK 6 as a pose generation and database enrichment tool

Sudipto Mukherjee, David A. Case, Daniel R. Roe, 2012, Journal of Computer-Aided Molecular Design.

NGLview–interactive molecular graphics for Jupyter notebooks

Alexander S. Rose, David A. Case, Hai Nguyen, 2018, Bioinform..

A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation

David A. Case, Seongho Moon, D. Case, 2006, J. Comput. Chem..

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Jian Yin, David L. Mobley, Michael K. Gilson, 2016 .

Invited Talk: Macromolecular Simulations Using Continuum Solvent Models

David A. Case, 2005, German Conference on Bioinformatics.

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Jian Yin, David L. Mobley, Michael K. Gilson, 2016, bioRxiv.

Fabrication end Deployment Testing of Meter Solar Sail Quadrants for a Scaleable Square Solar Sail Ground Test System

James D. Moore, David A. Case, Greg Laue, 2005 .

Energetic Selection of Topology in Ferredoxins

David A. Case, Paul G. Falkowski, Vikas Nanda, 2012, PLoS Comput. Biol..

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Jian Yin, David L. Mobley, Michael K. Gilson, 2016, bioRxiv.

Computer simulations of protein dynamics and thermodynamics

David A. Case, D. Case, 1993, Computer.

Low-Resolution Molecular Dynamics Simulations of the 30S Ribosomal Subunit

David A. Case, Stephen C. Harvey, Qizhi Cui, 2006, Multiscale Model. Simul..

An overview of the Amber biomolecular simulation package

Ross C. Walker, David A. Case, Romelia Salomon-Ferrer, 2013 .