[HTML][HTML] Multilevel parallelization of AutoDock 4.2
…, JPA Kocher, DJ Katzmann, CP Sosa - Journal of …, 2011 - Springer
Background Virtual (computational) screening is an increasingly important tool for drug
discovery. AutoDock is a popular open-source application for performing molecular docking, the …
discovery. AutoDock is a popular open-source application for performing molecular docking, the …
ZBTB24 is a transcriptional regulator that coordinates with DNMT3B to control DNA methylation
JJ Thompson, R Kaur, CP Sosa, JH Lee… - Nucleic acids …, 2018 - academic.oup.com
The interplay between transcription factors and epigenetic writers like the DNA methyltransferases
(DNMTs), and the role of this interplay in gene expression, is being increasingly …
(DNMTs), and the role of this interplay in gene expression, is being increasingly …
Norathyriol suppresses skin cancers induced by solar ultraviolet radiation by targeting ERK kinases
Ultraviolet (UV) irradiation is the leading factor in the development of skin cancer, prompting
great interest in chemopreventive agents for this disease. In this study, we report the …
great interest in chemopreventive agents for this disease. In this study, we report the …
Parallel genomic sequence-search on a massively parallel system
In the life sciences, genomic databases for sequence search have been growing exponentially
in size. As a result, faster sequence-search algorithms to search these databases …
in size. As a result, faster sequence-search algorithms to search these databases …
Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformation
TS Lee, GM Giambaşu, CP Sosa, M Martick… - Journal of molecular …, 2009 - Elsevier
The relationship between formation of active in-line attack conformations and monovalent (Na
+ ) and divalent (Mg 2+ ) metal ion binding in hammerhead ribozyme (HHR) has been …
+ ) and divalent (Mg 2+ ) metal ion binding in hammerhead ribozyme (HHR) has been …
Quercetin-3-methyl ether suppresses proliferation of mouse epidermal JB6 P+ cells by targeting ERKs
Chemoprevention has been acknowledged as an important and practical strategy for the
management of skin cancer. Quercetin-3-methyl ether, a naturally occurring compound present …
management of skin cancer. Quercetin-3-methyl ether, a naturally occurring compound present …
Multilevel X-Pol: A fragment-based method with mixed quantum mechanical representations of different fragments
The explicit polarization (X-Pol) method is a fragment-based quantum mechanical model, in
which a macromolecular system or other large or complex system in solution is partitioned …
which a macromolecular system or other large or complex system in solution is partitioned …
Computational classification of classically secreted proteins
EW Klee, CP Sosa - Drug discovery today, 2007 - Elsevier
The ability to identify classically secreted proteins is an important component of targeted
therapeutic studies and the discovery of circulating biomarkers. Here, we review some of the …
therapeutic studies and the discovery of circulating biomarkers. Here, we review some of the …
Peptide and protein folding
…, ML Mak, E Deretey, A Perczel, CP Sosa… - Journal of Molecular …, 2001 - Elsevier
Ab initio peptide folding, and its role in the reductionistic approach towards the understanding
of protein folding are discussed from the points of view of past, present and possible future …
of protein folding are discussed from the points of view of past, present and possible future …
An efficient parallel implementation of the hidden markov methods for genomic sequence-search on a massively parallel system
Bioinformatics databases used for sequence comparison and sequence alignment are growing
exponentially. This has popularized programs that carry out database searches. Current …
exponentially. This has popularized programs that carry out database searches. Current …