Setting up and running molecular dynamics simulations of membrane proteins
C Kandt, WL Ash, DP Tieleman - Methods, 2007 - Elsevier
Molecular dynamics simulations have become a popular and powerful technique to study
lipids and membrane proteins. We present some general questions and issues that should be …
lipids and membrane proteins. We present some general questions and issues that should be …
Tuberous sclerosis consensus conference: recommendations for diagnostic evaluation
At the recent Tuberous Sclerosis Consensus Conference, a subcommittee proposed
recommendations to guide the rational use of diagnostic studies in patients with tuberous sclerosis …
recommendations to guide the rational use of diagnostic studies in patients with tuberous sclerosis …
Tuberous sclerosis complex and neurofibromatosis type 1: the two most common neurocutaneous diseases
RS Kandt - Neurologic clinics, 2003 - Elsevier
TSC and NF1 are the most common of the neurocutaneous diseases, and both are
autosomal dominant with a high spontaneous mutation rate. For diagnosis, two features are …
autosomal dominant with a high spontaneous mutation rate. For diagnosis, two features are …
Linkage of an important gene locus for tuberous sclerosis to a chromosome 16 marker for polycystic kidney disease
RS Kandt, JL Haines, M Smith, H Northrup… - Nature …, 1992 - nature.com
Tuberous sclerosis complex (TSC) is an autosomal dominant disorder of unknown aetiology
that affects numerous body systems including skin, brain and kidneys. Some TSC has been …
that affects numerous body systems including skin, brain and kidneys. Some TSC has been …
[HTML][HTML] Smart cities, big data and urban policy: Towards urban analytics for the long run
The analysis of big data is deemed to define a new era in urban research, planning and
policy. Real-time data mining and pattern detection in high-frequency data can now be carried …
policy. Real-time data mining and pattern detection in high-frequency data can now be carried …
T-cell activation is an immune correlate of risk in BCG vaccinated infants
…, L Marsay, A Chomka, R Harrington-Kandt… - Nature …, 2016 - nature.com
Vaccines to protect against tuberculosis (TB) are urgently needed. We performed a case–control
analysis to identify immune correlates of TB disease risk in Bacille Calmette–Guerin (…
analysis to identify immune correlates of TB disease risk in Bacille Calmette–Guerin (…
[HTML][HTML] ATP-binding cassette transporters in Escherichia coli
A Moussatova, C Kandt, ML O'Mara… - Biochimica et Biophysica …, 2008 - Elsevier
ATP-binding cassette (ABC) transporters are integral membrane proteins that actively
transport molecules across cell membranes. In Escherichia coli they consist primarily of import …
transport molecules across cell membranes. In Escherichia coli they consist primarily of import …
Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid–protein interactions, side chain transfer free energies and model proteins
…, JL MacCallum, WL Ash, C Kandt… - Journal of Physics …, 2006 - iopscience.iop.org
We have reparameterized the dihedral parameters in a commonly used united-atom lipid
force field so that they can be used with the all-atom OPLS force field for proteins implemented …
force field so that they can be used with the all-atom OPLS force field for proteins implemented …
LAMBADA & InflateGRO2: Efficient membrane alignment and insertion of membrane proteins for molecular dynamics simulations
TH Schmidt, C Kandt - Biophysical Journal, 2012 - cell.com
At the beginning of each membrane protein simulation stands the generation of a suitable
starting structure which includes the two working steps of aligning the protein with the bilayer …
starting structure which includes the two working steps of aligning the protein with the bilayer …