PubRank

Wonpil Im

Author PubWeight™ 83.24‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 CHARMM-GUI: a web-based graphical user interface for CHARMM. J Comput Chem 2008 5.81
2 Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures. J Comput Chem 2004 3.83
3 CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes. Biophys J 2009 3.27
4 Automated builder and database of protein/membrane complexes for molecular dynamics simulations. PLoS One 2007 2.65
5 Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field. J Am Chem Soc 2006 2.59
6 Theoretical and computational models of biological ion channels. Q Rev Biophys 2004 2.41
7 Implicit solvation based on generalized Born theory in different dielectric environments. J Chem Phys 2004 2.00
8 Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory. Biophys J 2004 1.91
9 CHARMM-GUI Membrane Builder toward realistic biological membrane simulations. J Comput Chem 2014 1.89
10 PBEQ-Solver for online visualization of electrostatic potential of biomolecules. Nucleic Acids Res 2008 1.61
11 Differences in the electrostatic surfaces of the type III secretion needle proteins PrgI, BsaL, and MxiH. J Mol Biol 2007 1.53
12 Application of torsion angle molecular dynamics for efficient sampling of protein conformations. J Comput Chem 2005 1.48
13 Transmembrane helix tilting: insights from calculating the potential of mean force. Phys Rev Lett 2008 1.35
14 Revisiting hydrophobic mismatch with free energy simulation studies of transmembrane helix tilt and rotation. Biophys J 2010 1.31
15 Novel pyrrolopyrimidine-based α-helix mimetics: cell-permeable inhibitors of protein−protein interactions. J Am Chem Soc 2011 1.29
16 Membrane assembly of simple helix homo-oligomers studied via molecular dynamics simulations. Biophys J 2006 1.23
17 Influence of hydrophobic mismatch on structures and dynamics of gramicidin a and lipid bilayers. Biophys J 2012 1.15
18 Refinement of NMR structures using implicit solvent and advanced sampling techniques. J Am Chem Soc 2004 1.14
19 Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling. J Biomol NMR 2005 1.12
20 Molecular dynamics studies of ion permeation in VDAC. Biophys J 2011 1.09
21 Evidence for a fence that impedes the diffusion of phosphatidylinositol 4,5-bisphosphate out of the forming phagosomes of macrophages. Mol Biol Cell 2011 1.09
22 Cholesterol flip-flop: insights from free energy simulation studies. J Phys Chem B 2010 1.07
23 Generation and application of new rat monoclonal antibodies against synthetic FLAG and OLLAS tags for improved immunodetection. J Immunol Methods 2007 1.05
24 Application of solid-state NMR restraint potentials in membrane protein modeling. J Magn Reson 2008 1.03
25 Role of hydrogen bonding and helix-lipid interactions in transmembrane helix association. J Am Chem Soc 2008 1.03
26 Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins. J Comput Chem 2011 1.02
27 NMR-based simulation studies of Pf1 coat protein in explicit membranes. Biophys J 2013 1.01
28 Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics. Biophys J 2013 1.01
29 Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables. Biophys J 2011 1.00
30 Transmembrane signaling of chemotaxis receptor tar: insights from molecular dynamics simulation studies. Biophys J 2011 1.00
31 CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems. J Chem Inf Model 2013 0.99
32 Solid-state NMR ensemble dynamics as a mediator between experiment and simulation. Biophys J 2011 0.98
33 Transmembrane helix assembly by window exchange umbrella sampling. Phys Rev Lett 2012 0.97
34 NMR observable-based structure refinement of DAP12-NKG2C activating immunoreceptor complex in explicit membranes. Biophys J 2012 0.97
35 Improving the CHARMM force field for polyunsaturated fatty acid chains. J Phys Chem B 2012 0.96
36 Glycan fragment database: a database of PDB-based glycan 3D structures. Nucleic Acids Res 2012 0.96
37 Implementation and application of helix-helix distance and crossing angle restraint potentials. J Comput Chem 2007 0.95
38 Protein-protein interactions in actin-myosin binding and structural effects of R405Q mutation: a molecular dynamics study. Proteins 2006 0.94
39 Brownian dynamics simulations of ion transport through the VDAC. Biophys J 2011 0.94
40 Structural, NMR spectroscopic, and computational investigation of hemin loading in the hemophore HasAp from Pseudomonas aeruginosa. J Am Chem Soc 2010 0.93
41 Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores. J Comput Chem 2011 0.92
42 Restricted N-glycan conformational space in the PDB and its implication in glycan structure modeling. PLoS Comput Biol 2013 0.89
43 Imaging the electrostatic potential of transmembrane channels: atomic probe microscopy of OmpF porin. Biophys J 2002 0.89
44 Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations. J Comput Chem 2010 0.88
45 Comparative molecular dynamics simulation studies of protegrin-1 monomer and dimer in two different lipid bilayers. Biophys J 2009 0.88
46 Two Dimensional Window Exchange Umbrella Sampling for Transmembrane Helix Assembly. J Chem Theory Comput 2012 0.88
47 Identification of ligand templates using local structure alignment for structure-based drug design. J Chem Inf Model 2012 0.87
48 A repulsive electrostatic mechanism for protein export through the type III secretion apparatus. Biophys J 2010 0.87
49 CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application. J Chem Inf Model 2012 0.86
50 Preferred orientations of phosphoinositides in bilayers and their implications in protein recognition mechanisms. J Phys Chem B 2014 0.86
51 ST-analyzer: a web-based user interface for simulation trajectory analysis. J Comput Chem 2014 0.86
52 Beta-hairpin restraint potentials for calculations of potentials of mean force as a function of beta-hairpin tilt, rotation, and distance. J Comput Chem 2009 0.86
53 Membrane tension, lipid adaptation, conformational changes, and energetics in MscL gating. Biophys J 2011 0.85
54 Molecular dynamics studies on structure and dynamics of phospholamban monomer and pentamer in membranes. Proteins 2009 0.85
55 Multidimensional umbrella sampling and replica-exchange molecular dynamics simulations for structure prediction of transmembrane helix dimers. J Comput Chem 2013 0.85
56 How Tolerant are Membrane Simulations with Mismatch in Area per Lipid between Leaflets? J Chem Theory Comput 2015 0.84
57 CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations. J Chem Inf Model 2014 0.84
58 Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular dynamics simulations. J Phys Chem B 2011 0.83
59 Protein dynamics and ion traffic in bacterioferritin. Biochemistry 2012 0.82
60 Design, solid-phase synthesis, and evaluation of a phenyl-piperazine-triazine scaffold as α-helix mimetics. ACS Comb Sci 2014 0.82
61 Assessing smectic liquid-crystal continuum models for elastic bilayer deformations. Chem Phys Lipids 2013 0.82
62 Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry 2015 0.81
63 A novel strategy to determine protein structures using exclusively residual dipolar coupling. J Comput Chem 2008 0.80
64 Quantification of Drive-Response Relationships Between Residues During Protein Folding. J Chem Theory Comput 2013 0.80
65 Lipopolysaccharide membrane building and simulation. Methods Mol Biol 2015 0.80
66 Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors. J Chem Inf Model 2012 0.78
67 Explicit treatment of force contribution from alignment tensor using overdetermined linear equations and its application in NMR structure determination. J Comput Chem 2007 0.77
68 Ligand binding site detection by local structure alignment and its performance complementarity. J Chem Inf Model 2013 0.77
69 Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein. Biochemistry 2016 0.76
70 Molecular dynamics simulations of glycoproteins using CHARMM. Methods Mol Biol 2015 0.75
71 NMR characterization of hydrophobic collapses in amyloidogenic unfolded states and their implications for amyloid formation. Biochem Biophys Res Commun 2010 0.75
72 Transmembrane Motions of PglB Induced by LLO are Coupled with EL5 Loop Conformational Changes Necessary for OST Activity. Glycobiology 2017 0.75
73 Quantitative Characterization of Protein-Lipid Interactions by Free Energy Simulation Between Binary Bilayers. J Chem Theory Comput 2019 0.75
74 Influence of Cholesterol on Phospholipid Bilayer Structure and Dynamics. J Phys Chem B 2016 0.75