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D

David A. Case

Rutgers University

107H-index
518Paper Count
10.4WCitation Count
Published Papers 165
Publication Date
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Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16
errProteins: Structure, Function, and Bioinformatics
IF0
err2025-11-08
err0
PREAI
errRachael C. Kretsch; Elisa Posani; Eugene F. Baulin; Janusz M. Bujnicki; Giovanni Bussi; Thomas E. Cheatham III; Shi-Jie Chen; Arne Elofsson; Masoud Amiri Farsani; Olivia N. Fisher; M. Michael Gromiha; Ayush Gupta; Michiaki Hamada; K. Harini; Gang Hu; David Huang; Junichi Iwakiri; Anika Jain; Yuki Kagaya; Daisuke Kihara; Sebastian Kmiecik; Sowmya Ramaswamy Krishnan; Ikuo Kurisaki; Olivier Languin-Cattoën; Jun Li; Shanshan Li; Karim Malekzadeh; Tsukasa Nakamura; Wentao Ni; Chandran Nithin; Michael Z. Palo; Joon Hong Park; Smita P. Pilla; Simón Poblete; Fabrizio Pucci; Pranav Punuru; Anouka Saha; Kengo Sato; Ambuj Srivastava; Genki Terashi; Emilia Tugolukova; Jacob Verburgt; Qiqige Wuyun; Gül H. Zerze; Kaiming Zhang; Sicheng Zhang; Wei Zheng; Yuanzhe Zhou; Wah Chiu; David A. Case; Rhiju Das
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Wavelength dependent photochemistry of an iron dinitrogen hydride complex via multiple spectroscopies – competing ejection of axial ligands
errChem. Sci.
IF7.4
err2025-08-13
err0
errOAAI
errWeibing Dong ‡; Hongxin Wang ‡; Saeed Kamali; David R. Tyler; Yisong Guo; Lifen Yan; Chantal G. Balesdent; Justin L. Crossland; David A. Case; Yoshitaka Yoda; Jiyong Zhao; Stephen P. Cramer
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errSave
Recent Developments in Amber Biomolecular Simulations
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
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errSave
Selective [9-15N] Guanosine for Nuclear Magnetic Resonance Studies of Large Ribonucleic Acids
errCHEMBIOCHEM
IF2.8
err2025-05-23
err0
PREAI
errAttionu, Solomon K.; Dill, Rita; Summers, Michael F.; Case, David A.; Marchant, Jan; Dayie, Theodore K.
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errSave
Complex water networks visualized by cryogenic electron microscopy of RNA
errNATURE
IF48.5
err2025-03-11
err2
PREAI
errKretsch, Rachael C.; Li, Shanshan; Pintilie, Grigore; Palo, Michael Z.; Case, David A.
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errSave
Simulating the Motion Underlying the Mechanism of Thioredoxin Reductase
errACS OMEGA
IF4.3
err2024-06-25
err1
errOAAI
errZuiderweg, Erik R. P.; Case, David A.; Williams Jr, Charles H.
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errSave
Enhanced TROSY Effect in [2-19F, 2-13C] Adenosine and ATP Analogs Facilitates NMR Spectroscopy of Very Large Biological RNAs in Solution
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-01-24
err1
errOAAI
errJuen, Fabian; Glaenzer, David; Plangger, Raphael; Kugler, Valentina; Fleischmann, Jakob; Stefan, Eduard; Case, David A.; Kovacs, Helena; Dayie, Theodore Kwaku; Kreutz, Christoph
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errSave
X-ray Crystallography Module in MD Simulation Program Amber 2023. Refining the Models of Protein Crystals
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-26
err5
PREAI
errMikhailovskii, Oleg; Izmailov, Sergei A.; Xue, Yi; Case, David A.; Skrynnikov, Nikolai R.
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errSave
An RNA excited conformational state at atomic resolution
errNATURE COMMUNICATIONS
IF15.7
err2023-12-19
err8
errOAAI
errGeng, Ainan; Ganser, Laura; Roy, Rohit; Shi, Honglue; Pratihar, Supriya; Case, David A.; Al-Hashimi, Hashim M.
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errSave
The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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errSave
Robust total X-ray scattering workflow to study correlated motion of proteins in crystals
errNATURE COMMUNICATIONS
IF15.7
err2023-03-03
err11
errOAAI
errMeisburger, Steve P.; Case, David A.; Ando, Nozomi
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errSave
Correlated motions in enzymes
errFASEB JOURNAL
IF4.2
err2022-05-13
err0
PREAI
errAndo, Nozomi; Meisburger, Steve P.; Case, David A.
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errSave
Colicin E1 opens its hinge to plug TolC
errELIFE
IF0
err2022-02-24
err13
errOAAI
errBudiardjo, S. Jimmy; Stevens, Jacqueline J.; Calkins, Anna L.; Ikujuni, Ayotunde P.; Wimalasena, Virangika K.; Firlar, Emre; Case, David A.; Biteen, Julie S.; Kaelber, Jason T.; Slusky, Joanna S. G.
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Integral equation models for solvent in macromolecular crystals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-04
err5
errOAAI
errGray, Jonathon G.; Giambasu, George M.; Case, David A.; Luchko, Tyler
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errSave
Simulations of Kindlin-2 PIP binding domains reveal protonation-dependent membrane binding modes
errBIOPHYSICAL JOURNAL
IF3.1
err2021-12-01
err2
errOAAI
errPalmere, Robert D.; Case, David A.; Nieuwkoop, Andrew J.
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A quantitative model predicts how m6A reshapes the kinetic landscape of nucleic acid hybridization and conformational transitions
errNATURE COMMUNICATIONS
IF15.7
err2021-08-31
err16
errOAAI
errLiu, Bei; Shi, Honglue; Rangadurai, Atul; Nussbaumer, Felix; Chu, Chia-Chieh; Erharter, Kevin Andreas; Case, David A.; Kreutz, Christoph; Al-Hashimi, Hashim M.
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errSave
Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2021-08-23
err57
errOAAI
errWilliams, Jonathan K.; Wang, Baifan; Sam, Andrew; Hoop, Cody L.; Case, David A.; Baum, Jean
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errSave
Classical molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-11
err35
errOAAI
errBrooks, Charles L., III; Case, David A.; Plimpton, Steve; Roux, Benoit; van der Spoel, David; Tajkhorshid, Emad
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errSave
Using quantum chemistry to estimate chemical shifts in biomolecules
errBIOPHYSICAL CHEMISTRY
IF2.2
err2020-12-01
err12
errOAAI
errCase, David A.
errShare
errSave
Coupled intra- and interdomain dynamics support domain cross-talk in Pin1
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2020-12-01
err7
errOAAI
errZhang, Meiling; Frederick, Thomas E.; VanPelt, Jamie; Case, David A.; Peng, Jeffrey W.
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errSave

Research Directions

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Co-authors
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H-index: 140 · Papers: 828
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J. Andrew McCammon
H-index: 134 · Papers: 1.1K
W
William H. Miller
H-index: 129 · Papers: 960
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