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JCC
2007
79views more  JCC 2007»
15 years 6 months ago
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
Abstract: A hybrid quantum mechanical/molecular mechanical (QM/MM) potential energy function with HartreeFock, density functional theory (DFT), and post-HF (RIMP2, MP2, CCSD) capab...
H. Lee Woodcock III, Milan Hodoscek, Andrew T. B. ...
BC
2002
108views more  BC 2002»
15 years 6 months ago
Spike-timing-dependent plasticity: common themes and divergent vistas
Abstract. Recent experimental observations of spiketiming-dependent synaptic plasticity (STDP) have revitalized the study of synaptic learning rules. The most surprising aspect of ...
Ádám Kepecs, Mark C. W. van Rossum, ...
BMCBI
2004
111views more  BMCBI 2004»
15 years 6 months ago
The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases
Background: The Hotdog fold was initially identified in the structure of Escherichia coli FabA and subsequently in 4-hydroxybenzoyl-CoA thioesterase from Pseudomonas sp. strain CB...
Shane C. Dillon, Alex Bateman
BMCBI
2004
141views more  BMCBI 2004»
15 years 6 months ago
Estimates of statistical significance for comparison of individual positions in multiple sequence alignments
Background: Profile-based analysis of multiple sequence alignments (MSA) allows for accurate comparison of protein families. Here, we address the problems of detecting statistical...
Ruslan Sadreyev, Nick V. Grishin
JCB
2000
101views more  JCB 2000»
15 years 6 months ago
Evaluation Measures of Multiple Sequence Alignments
Multiple sequence alignments (MSAs) are frequently used in the study of families of protein sequences or DNA/RNA sequences. They are a fundamental tool for the understanding of th...
Gaston H. Gonnet, Chantal Korostensky, Steven A. B...
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