D
David A. Case
Researcher at Rutgers University
Publications - 369
Citations - 84216
David A. Case is an academic researcher from Rutgers University. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 102, co-authored 364 publications receiving 74066 citations. Previous affiliations of David A. Case include University of Utah & Scripps Health.
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Journal ArticleDOI
Density Functional and Reduction Potential Calculations of Fe4S4 Clusters
TL;DR: These calculations suggest that the number of amide dipole and hydrogen bonding interactions with the Fe(4)S( 4) clusters play a key role in modulating the accessible redox couple.
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Solution structure of the first three zinc fingers of TFIIIA bound to the cognate DNA sequence: determinants of affinity and sequence specificity.
TL;DR: The high resolution solution structure of a protein containing the three amino-terminal zinc fingers of Xenopus laevis transcription factor IIIA bound to its cognate DNA duplex was determined by nuclear magnetic resonance spectroscopy and provides a molecular level explanation for the large body of footprinting and mutagenesis data available for the TFIIIA-DNA complex.
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Characterization of domain-peptide interaction interface: a case study on the amphiphysin-1 SH3 domain.
TL;DR: This study demonstrates that the analysis of the MIECs between peptides and the SH3 domain can successfully characterize the binding interface, and it provides a framework to derive integrated prediction models for different domain-peptide systems.
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Angular momentum polarization in molecular collisions : Classical and quantum theory for measurements using resonance fluorescence
TL;DR: In this article, an explicit and general treatment for the intensity and polarization of resonance fluorescence from molecules produced in inelastic or reactive collisions was given for the rotational angular momentum distribution.
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μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA
Marco Pasi,John H. Maddocks,David L. Beveridge,Thomas C. Bishop,David A. Case,Thomas E. Cheatham,Pablo D. Dans,Bhyravabhotla Jayaram,Filip Lankaš,Charles A. Laughton,Jonathan S. Mitchell,Roman Osman,Modesto Orozco,Alberto Perez,D. Petkevičiūtė,Nad'a Špačková,Jiri Sponer,Jiri Sponer,Krystyna Zakrzewska,Richard Lavery +19 more
TL;DR: The results of microsecond molecular dynamics simulations carried out by the ABC group of laboratories on a set of B-DNA oligomers containing the 136 distinct tetranucleotide base sequences demonstrate that the resulting trajectories have extensively sampled the conformational space accessible to B- DNA at room temperature.