Research graph
References from pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. Local targets link to admitted publications; unresolved targets remain external evidence.
Essential dynamics of proteins
10.1002/prot.340170408 · 1993 · External reference
Investigating protein dynamics in collective coordinate space
10.1016/s0959-440x(99)80023-2 · 1999 · External reference
Molecular dynamics studies of DNA A-tract structure and flexibility
10.1021/ja983715z · 1999 · External reference
Molecular dynamics of acetylcholinesterase dimer complexed with tacrine
10.1021/ja971226d · 1997 · External reference
Principal components analysis of protein structure ensembles calculated using NMR data
10.1023/a:1011210009067 · 2001 · External reference
Close correspondence between the essential protein motions from principal component analysis of multiple HIV-1 protease structures and elastic network modes
10.1016/j.str.2007.12.011 · 2008 · External reference
Free-energy landscape of kinesin by a realistic lattice model
10.1002/prot.21707 · 2008 · External reference
Essential dynamics: A tool for efficient trajectory compression and management
10.1021/ct050285b · 2006 · External reference
COCO: A simple tool to enrich the representation of conformational variability in NMR structures
10.1002/prot.22235 · 2009 · External reference
The amber biomolecular simulation programs
10.1002/jcc.20290 · 2005 · External reference
CHARMM: The biomolecular simulation program
10.1002/jcc.21287 · 2009 · External reference
GROMACS: fast, flexible, and free
10.1002/jcc.20291 · 2005 · External reference
Scalable molecular dynamics with NAMD
10.1002/jcc.20289 · 2005 · External reference
MDAnalysis: a toolkit for the analysis of molecular dynamics simulations
10.1002/jcc.21787 · 2011 · External reference
Long-Timescale molecular dynamics simulations of the major urinary protein provide atomistic interpretations of the unusual thermodynamics of ligand binding
10.1016/j.bpj.2010.03.055 · 2010 · External reference
mu ABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA
10.1093/nar/gku855 · 2014 · External reference
UCSF Chimera–a visualisation system for exploratory research and analysis
10.1002/jcc.20084 · 2004 · External reference
A simple physical description of DNA dynamics: quasi-harmonic analysis as a route to the configurational entropy
10.1088/0953-8984/19/7/076103 · 2007 · External reference
Cooperativity in drug-DNA recognition: a molecular dynamics study
10.1021/ja016233n · 2001 · External reference
Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA
10.1529/biophysj.104.046912 · 2005 · External reference
Molecular dynamics simulations of the adenosine A2a receptor: structural stability, sampling, and convergence
10.1021/ci300610w · 2013 · External reference
Molecular dynamics simulations of the adenosine A2a receptor in POPC and POPE lipid bilayers: effects of membrane on protein behavior
10.1021/ci400463z · 2014 · External reference
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