Im W - Search Results

1

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.

Lee J, Cheng X, Swails JM, Yeom MS, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JC, Qi Y, Jo S, Pande VS, Case DA, Brooks CL 3rd, MacKerell AD Jr, Klauda JB, Im W. Lee J, et al. Among authors: im w. J Chem Theory Comput. 2016 Jan 12;12(1):405-13. doi: 10.1021/acs.jctc.5b00935. Epub 2015 Dec 3. J Chem Theory Comput. 2016. PMID: 26631602 Free PMC article.

2

Generalized born model with a simple smoothing function.

Im W, Lee MS, Brooks CL 3rd. Im W, et al. J Comput Chem. 2003 Nov 15;24(14):1691-702. doi: 10.1002/jcc.10321. J Comput Chem. 2003. PMID: 12964188

The present GB model is formulated in this manner to provide consistency with the Poisson-Boltzmann (PB) theory previously developed to yield numerically stable electrostatic solvation forces based on finite-difference methods (W. Im, D. Beglov, and B. Roux, Comp Ph …

The present GB model is formulated in this manner to provide consistency with the Poisson-Boltzmann (PB) theory previously developed to yiel …

3

An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins.

Im W, Feig M, Brooks CL 3rd. Im W, et al. Biophys J. 2003 Nov;85(5):2900-18. doi: 10.1016/S0006-3495(03)74712-2. Biophys J. 2003. PMID: 14581194 Free PMC article.

4

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.

Feig M, Onufriev A, Lee MS, Im W, Case DA, Brooks CL 3rd. Feig M, et al. Among authors: im w. J Comput Chem. 2004 Jan 30;25(2):265-84. doi: 10.1002/jcc.10378. J Comput Chem. 2004. PMID: 14648625

5

De novo folding of membrane proteins: an exploration of the structure and NMR properties of the fd coat protein.

Im W, Brooks CL 3rd. Im W, et al. J Mol Biol. 2004 Mar 26;337(3):513-9. doi: 10.1016/j.jmb.2004.01.045. J Mol Biol. 2004. PMID: 15019773

6

Implicit solvation based on generalized Born theory in different dielectric environments.

Feig M, Im W, Brooks CL 3rd. Feig M, et al. Among authors: im w. J Chem Phys. 2004 Jan 8;120(2):903-11. doi: 10.1063/1.1631258. J Chem Phys. 2004. PMID: 15267926

7

Refinement of NMR structures using implicit solvent and advanced sampling techniques.

Chen J, Im W, Brooks CL 3rd. Chen J, et al. Among authors: im w. J Am Chem Soc. 2004 Dec 15;126(49):16038-47. doi: 10.1021/ja047624f. J Am Chem Soc. 2004. PMID: 15584737

8

Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling.

Chen J, Won HS, Im W, Dyson HJ, Brooks CL 3rd. Chen J, et al. Among authors: im w. J Biomol NMR. 2005 Jan;31(1):59-64. doi: 10.1007/s10858-004-6056-z. J Biomol NMR. 2005. PMID: 15692739

9

Interfacial folding and membrane insertion of designed peptides studied by molecular dynamics simulations.

Im W, Brooks CL 3rd. Im W, et al. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6771-6. doi: 10.1073/pnas.0408135102. Epub 2005 Apr 28. Proc Natl Acad Sci U S A. 2005. PMID: 15860587 Free PMC article.

10

Application of torsion angle molecular dynamics for efficient sampling of protein conformations.

Chen J, Im W, Brooks CL 3rd. Chen J, et al. Among authors: im w. J Comput Chem. 2005 Nov 30;26(15):1565-78. doi: 10.1002/jcc.20293. J Comput Chem. 2005. PMID: 16145655

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