PubRank

Erik Lindahl

Author PubWeight™ 88.26‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 GROMACS: fast, flexible, and free. J Comput Chem 2005 27.22
2 GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinformatics 2013 11.01
3 Prediction of membrane-protein topology from first principles. Proc Natl Acad Sci U S A 2008 2.55
4 Molecular dynamics simulations of phospholipid bilayers with cholesterol. Biophys J 2003 2.38
5 Simulations of the role of water in the protein-folding mechanism. Proc Natl Acad Sci U S A 2004 1.95
6 An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations. J Gen Physiol 2012 1.72
7 Improved model quality assessment using ProQ2. BMC Bioinformatics 2012 1.70
8 Using multiple templates to improve quality of homology models in automated homology modeling. Protein Sci 2008 1.56
9 Structural basis for alcohol modulation of a pentameric ligand-gated ion channel. Proc Natl Acad Sci U S A 2011 1.52
10 Conformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channel. PLoS Comput Biol 2009 1.51
11 Tracking a complete voltage-sensor cycle with metal-ion bridges. Proc Natl Acad Sci U S A 2012 1.46
12 PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics. Nucleic Acids Res 2006 1.45
13 Microsecond simulations indicate that ethanol binds between subunits and could stabilize an open-state model of a glycine receptor. Biophys J 2011 1.42
14 Molecular recognition of a single sphingolipid species by a protein's transmembrane domain. Nature 2012 1.42
15 Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails. PLoS Comput Biol 2010 1.42
16 3D pressure field in lipid membranes and membrane-protein complexes. Phys Rev Lett 2009 1.30
17 Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state. Science 2013 1.28
18 Amino-acid solvation structure in transmembrane helices from molecular dynamics simulations. Biophys J 2006 1.24
19 Speeding up parallel GROMACS on high-latency networks. J Comput Chem 2007 1.23
20 Membrane proteins diffuse as dynamic complexes with lipids. J Am Chem Soc 2010 1.21
21 Protein contents in biological membranes can explain abnormal solvation of charged and polar residues. Proc Natl Acad Sci U S A 2009 1.18
22 The role of lipid composition for insertion and stabilization of amino acids in membranes. J Chem Phys 2009 1.15
23 3₁₀-helix conformation facilitates the transition of a voltage sensor S4 segment toward the down state. Biophys J 2011 1.11
24 A high-performance parallel-generalized Born implementation enabled by tabulated interaction rescaling. J Comput Chem 2010 1.10
25 Model quality assessment for membrane proteins. Bioinformatics 2010 1.10
26 Modeling anesthetic binding sites within the glycine alpha one receptor based on prokaryotic ion channel templates: the problem with TM4. J Chem Inf Model 2010 1.05
27 Position-resolved free energy of solvation for amino acids in lipid membranes from molecular dynamics simulations. Proteins 2008 0.99
28 Titratable amino acid solvation in lipid membranes as a function of protonation state. J Phys Chem B 2009 0.98
29 Normal-mode analysis of the glycine alpha1 receptor by three separate methods. J Chem Inf Model 2007 0.96
30 Molecular mechanism for the dual alcohol modulation of Cys-loop receptors. PLoS Comput Biol 2012 0.95
31 Stabilization of the GluCl ligand-gated ion channel in the presence and absence of ivermectin. Biophys J 2013 0.90
32 Structure and dynamics of interfacial water in an Lalpha phase lipid bilayer from molecular dynamics simulations. Biophys J 2003 0.88
33 Structural models of ligand-gated ion channels: sites of action for anesthetics and ethanol. Alcohol Clin Exp Res 2013 0.88
34 Effect of cobratoxin binding on the normal mode vibration within acetylcholine binding protein. J Chem Inf Model 2008 0.86
35 Inhibition versus potentiation of ligand-gated ion channels can be altered by a single mutation that moves ligands between intra- and intersubunit sites. Structure 2013 0.85
36 Water ordering at membrane interfaces controls fusion dynamics. J Am Chem Soc 2011 0.85
37 The free energy barrier for arginine gating charge translation is altered by mutations in the voltage sensor domain. PLoS One 2012 0.85
38 The conserved phenylalanine in the K+ channel voltage-sensor domain creates a barrier with unidirectional effects. Biophys J 2013 0.84
39 Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channels. Mol Pharmacol 2013 0.81
40 Association dynamics and linear and nonlinear optical properties of an N-acetylaladanamide probe in a POPC membrane. J Am Chem Soc 2013 0.80
41 Coupled diffusion in lipid bilayers upon close approach. J Am Chem Soc 2015 0.80
42 Probing microscopic material properties inside simulated membranes through spatially resolved three-dimensional local pressure fields and surface tensions. Chem Phys Lipids 2013 0.80
43 Normal mode gating motions of a ligand-gated ion channel persist in a fully hydrated lipid bilayer model. ACS Chem Neurosci 2010 0.79
44 An efficient and extensible format, library, and API for binary trajectory data from molecular simulations. J Comput Chem 2013 0.78
45 Internal duplications in α-helical membrane protein topologies are common but the nonduplicated forms are rare. Protein Sci 2010 0.78
46 Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations. J Phys Chem B 2014 0.78
47 Identification of selective inhibitors of the potassium channel Kv1.1-1.2((3)) by high-throughput virtual screening and automated patch clamp. ChemMedChem 2012 0.77
48 The C-terminal cavity of the Na,K-ATPase analyzed by docking and electrophysiology. Mol Membr Biol 2012 0.77
49 A specific interdomain interaction preserves the structural and binding properties of the ModA protein from the phytopathogen Xanthomonas citri domain interaction and transport in ModA. Arch Biochem Biophys 2013 0.77