David S. Cerutti

According to our database, David S. Cerutti authored at least 4 papers between 2012 and 2023.

Collaborative distances:

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

2023

AmberTools.

David A. Case, Hasan Metin Aktulga, Kellon Belfon, David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro, Negin Forouzesh, Timothy J. Giese, Andreas W. Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet Cagri Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R. Machado, Hai Minh Nguyen, Kurt A. O'Hearn, Alexey V. Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason M. Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E. Cheatham, Daniel R. Roe, Adrian E. Roitberg, Carlos Simmerling, Darrin M. York, Maria C. Nagan, Kenneth M. Merz Jr.

J. Chem. Inf. Model., October, 2023

2018

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features.

Tai-Sung Lee, David S. Cerutti, Dan Mermelstein, Charles Lin, Scott LeGrand, Timothy J. Giese, Adrian E. Roitberg, David A. Case, Ross C. Walker, Darrin M. York

J. Chem. Inf. Model., 2018

2017

On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge.

Nupur Bansal, Zheng Zheng, David S. Cerutti, Kenneth M. Merz Jr.

J. Comput. Aided Mol. Des., 2017

2012

Alchemical prediction of hydration free energies for SAMPL.

David L. Mobley, Shaui Liu, David S. Cerutti, William C. Swope, Julia E. Rice

J. Comput. Aided Mol. Des., 2012