David A Case

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 23

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

Journal of the American Chemical Society

Biochemistry

Rutgers University

Harvard University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Rutgers University Sep 01 2008

United States

Professor :: Chemistry and Chemical Biology

Education History

Harvard University Jun 30 1977

United States

PHD

Publications

Erik R P Zuiderweg, David A Case, Charles H Williams
Simulating the Motion Underlying the Mechanism of Thioredoxin Reductase. ACS omega 9 (27) (2024)
Erik R P Zuiderweg, David A Case, Charles H Williams
Simulating the Motion Underlying the Mechanism of Thioredoxin Reductase. ACS omega 9 (27) (2024)
Oleg Mikhailovskii, Sergei A Izmailov, Yi Xue, David A Case, Nikolai R Skrynnikov
X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals. Journal of chemical information and modeling 64 (1) (2023)
David A Case, Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, Gerardo Andrés Cisneros, Vinícius Wilian D Cruzeiro, Negin Forouzesh, Timothy J Giese, Andreas W Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet C 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 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 L Simmerling, Darrin M York, Maria C Nagan, Kenneth M Merz
AmberTools. Journal of chemical information and modeling (2023)
Oleg Mikhailovskii, Sergei A Izmailov, Yi Xue, David A Case, Nikolai R Skrynnikov
X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals. Journal of chemical information and modeling (2023)
Oleg Mikhailovskii, Sergei A Izmailov, Yi Xue, David A Case, Nikolai R Skrynnikov
X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals. Journal of chemical information and modeling 64 (1) (2023)
Oleg Mikhailovskii, Sergei A Izmailov, Yi Xue, David A Case, Nikolai R Skrynnikov
X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals. Journal of chemical information and modeling 64 (1) (2023)
Şölen Ekesan, Erika McCarthy, David A Case, Darrin M York
RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable Catalysis. The journal of physical chemistry. B 126 (32) (2022)
Jonathon G Gray, George M Giambaşu, David A Case, Tyler Luchko
Integral equation models for solvent in macromolecular crystals. The Journal of chemical physics 156 (1) (2022)
Jonathon G Gray, David A Case
Refinement of RNA Structures Using Amber Force Fields. Crystals 11 (7) (2021)
Charles L Brooks Iii, David A Case, Steve Plimpton, Benoı T Roux, David van der Spoel, Emad Tajkhorshid
Classical molecular dynamics. The Journal of chemical physics 154 (10) (2021)
Joshua D Brown, Siarhei Kharytonchyk, Issac Chaudry, Aishwarya S Iyer, Hannah Carter, Ghazal Becker, Yash Desai, Lindsay Glang, Seung H Choi, Karndeep Singh, Michael W Lopresti, Matthew Orellana, Tatiana Rodriguez, Ubiomo Oboh, Jana Hijji, Frances Grace Ghinger, Kailan Stewart, Dillion Francis, Bryce Edwards, Patrick Chen, David A Case, Alice Telesnitsky, Michael F Summers
Structural basis for transcriptional start site control of HIV-1 RNA fate. Science (New York, N.Y.) 368 (6489) (2020)
Owen B Becette, Guanghui Zong, Bin Chen, Kehinde M Taiwo, David A Case, Theodore Kwaku Dayie
Solution NMR readily reveals distinct structural folds and interactions in doubly 13C- and 19F-labeled RNAs. Science advances 6 (41) (2020)
Premila P Samuel Russell, David A Case
Atomistic Simulations of Heme Dissociation Pathways in Human Methemoglobins Reveal Hidden Intermediates. Biochemistry 59 (42) (2020)
Nigel W Moriarty, Pawel A Janowski, Jason M Swails, Hai Nguyen, Jane S Richardson, David A Case, Paul D Adams
Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix. Acta crystallographica. Section D, Structural biology 76 (Pt 1) (2020)
Veronika Hoeke, Laura Tociu, David A Case, Lance C Seefeldt, Simone Raugei, Brian M Hoffman
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H). Journal of the American Chemical Society 141 (30) (2019)
Huiqing Zhou, Bharathwaj Sathyamoorthy, Allison Stelling, Yu Xu, Yi Xue, Ying Zhang Pigli, David A Case, Phoebe A Rice, Hashim M Al-Hashimi
Characterizing Watson-Crick versus Hoogsteen Base Pairing in a DNA-Protein Complex Using Nuclear Magnetic Resonance and Site-Specifically 13C- and 15N-Labeled DNA. Biochemistry 58 (15) (2019)
Veronika Hoeke, Laura Tociu, David A Case, Lance C Seefeldt, Simone Raugei, Brian M Hoffman
Correction to "High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)". Journal of the American Chemical Society 141 (50) (2019)
George M Giambaşu, David A Case, Darrin M York
Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation Theory. Journal of the American Chemical Society 141 (6) (2019)
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
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features. Journal of chemical information and modeling 58 (10) (2018)
Aliza B Rubenstein, Kristin Blacklock, Hai Nguyen, David A Case, Sagar D Khare
Systematic Comparison of Amber and Rosetta Energy Functions for Protein Structure Evaluation. Journal of chemical theory and computation 14 (11) (2018)
He Chen, David A Case, G Charles Dismukes
Reconciling Structural and Spectroscopic Fingerprints of the Oxygen-Evolving Complex of Photosystem II: A Computational Study of the S2 State. The journal of physical chemistry. B 122 (50) (2018)
He Chen, G Charles Dismukes, David A Case
Resolving Ambiguous Protonation and Oxidation States in the Oxygen Evolving Complex of Photosystem II. The journal of physical chemistry. B 122 (37) (2018)

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Publication Activity (10 Years)

Top Topics

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David A Case