The Multiscale Coarse- Graining Method: A Systematic Approach to Coarse-Graining
暂无分享,去创建一个
Gregory A. Voth | Sergei Izvekov | William George Noid | Gary S. Ayton | G. Voth | W. Noid | G. Ayton | S. Izvekov
[1] Gregory A Voth,et al. Multiscale coarse-graining of monosaccharides. , 2007, The journal of physical chemistry. B.
[2] Gregory A Voth,et al. Coarse-grained peptide modeling using a systematic multiscale approach. , 2007, Biophysical journal.
[3] Gregory A Voth,et al. Multiscale coarse-graining and structural correlations: connections to liquid-state theory. , 2007, The journal of physical chemistry. B.
[4] Gregory A Voth,et al. Multiscale modeling of biomolecular systems: in serial and in parallel. , 2007, Current opinion in structural biology.
[5] Gregory A Voth,et al. Are many-body electronic polarization effects important in liquid water? , 2007, The Journal of chemical physics.
[6] Gregory A Voth,et al. Smart resolution replica exchange: an efficient algorithm for exploring complex energy landscapes. , 2007, The Journal of chemical physics.
[7] Jhih-Wei Chu,et al. Emerging methods for multiscale simulation of biomolecular systems , 2007 .
[8] Gregory A. Voth,et al. Direct observation of Bin/amphiphysin/Rvs (BAR) domain-induced membrane curvature by means of molecular dynamics simulations , 2006, Proceedings of the National Academy of Sciences.
[9] Qiang Shi,et al. Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel. , 2006, The journal of physical chemistry. B.
[10] Ralf Langen,et al. Mechanism of endophilin N‐BAR domain‐mediated membrane curvature , 2006, The EMBO journal.
[11] Soichi Takeda,et al. Endophilin BAR domain drives membrane curvature by two newly identified structure‐based mechanisms , 2006, The EMBO journal.
[12] Gregory A Voth,et al. Multiscale coarse-graining of ionic liquids. , 2006, The journal of physical chemistry. B.
[13] Gregory A. Voth,et al. The multiscale challenge for biomolecular systems: coarse-grained modeling , 2006 .
[14] Peter L. Freddolino,et al. Molecular dynamics simulations of the complete satellite tobacco mosaic virus. , 2006, Structure.
[15] Gregory A Voth,et al. Computer simulation of proton solvation and transport in aqueous and biomolecular systems. , 2006, Accounts of chemical research.
[16] Sharon Hammes-Schiffer,et al. Hydrogen tunneling and protein motion in enzyme reactions , 2006, Accounts of chemical research.
[17] Akihiro Kusumi,et al. Toward understanding the dynamics of membrane-raft-based molecular interactions. , 2005, Biochimica et biophysica acta.
[18] Laxmikant V. Kalé,et al. Scalable molecular dynamics with NAMD , 2005, J. Comput. Chem..
[19] Holger Gohlke,et al. The Amber biomolecular simulation programs , 2005, J. Comput. Chem..
[20] Gerrit Groenhof,et al. GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..
[21] S. Joseph,et al. Simulating movement of tRNA into the ribosome during decoding. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[22] I. Bahar,et al. Coarse-grained normal mode analysis in structural biology. , 2005, Current opinion in structural biology.
[23] Gregory A Voth,et al. Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation. , 2005, The journal of physical chemistry. B.
[24] G. Voth,et al. Unique spatial heterogeneity in ionic liquids. , 2005, Journal of the American Chemical Society.
[25] Valentina Tozzini,et al. Coarse-grained models for proteins. , 2005, Current opinion in structural biology.
[26] Gregory A Voth,et al. A multiscale coarse-graining method for biomolecular systems. , 2005, The journal of physical chemistry. B.
[27] Eric Jakobsson,et al. Simulation of the early stages of nano-domain formation in mixed bilayers of sphingomyelin, cholesterol, and dioleylphosphatidylcholine. , 2004, Biophysical journal.
[28] Gregory A Voth,et al. Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching. , 2004, The Journal of chemical physics.
[29] D Thirumalai,et al. Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis. , 2004, Journal of molecular graphics & modelling.
[30] Willy Wriggers,et al. Spanning the length scales of biomolecular simulation. , 2004, Structure.
[31] A. Mark,et al. Coarse grained model for semiquantitative lipid simulations , 2004 .
[32] Grace Brannigan,et al. Solvent-free simulations of fluid membrane bilayers. , 2004, The Journal of chemical physics.
[33] J. Frank,et al. Dynamic reorganization of the functionally active ribosome explored by normal mode analysis and cryo-electron microscopy , 2003, Proceedings of the National Academy of Sciences of the United States of America.
[34] S Gnanakaran,et al. Peptide folding simulations. , 2003, Current opinion in structural biology.
[35] Florence Tama,et al. Mega-Dalton biomolecular motion captured from electron microscopy reconstructions. , 2003, Journal of molecular biology.
[36] V. Pande,et al. Absolute comparison of simulated and experimental protein-folding dynamics , 2002, Nature.
[37] J. Berg,et al. Molecular dynamics simulations of biomolecules , 2002, Nature Structural Biology.
[38] Arieh Warshel,et al. Molecular dynamics simulations of biological reactions. , 2002, Accounts of chemical research.
[39] J Mervis. NSF Launches TeraGrid for Academic Research , 2001, Science.
[40] A. Liwo,et al. Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field , 2001 .
[41] X. Daura,et al. The Key to Solving the Protein-Folding Problem Lies in an Accurate Description of the Denatured State. , 2001, Angewandte Chemie.
[42] Kai Simons,et al. Lipid rafts and signal transduction , 2000, Nature Reviews Molecular Cell Biology.
[43] E. Lindahl,et al. Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations. , 2000, Biophysical journal.
[44] Alexander D. MacKerell,et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.
[45] P. B. Warren,et al. DISSIPATIVE PARTICLE DYNAMICS : BRIDGING THE GAP BETWEEN ATOMISTIC AND MESOSCOPIC SIMULATION , 1997 .
[46] W. L. Jorgensen,et al. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids , 1996 .
[47] W Smith,et al. DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. , 1996, Journal of molecular graphics.
[48] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[49] M. Levitt. A simplified representation of protein conformations for rapid simulation of protein folding. , 1976, Journal of molecular biology.
[50] M. Levitt,et al. Computer simulation of protein folding , 1975, Nature.
[51] Frank L. H. Brown,et al. Implicit solvent simulation models for biomembranes , 2005, European Biophysics Journal.
[52] Klaus Schulten,et al. Multiscale Method for Simulating Protein-DNA Complexes , 2004, Multiscale Model. Simul..
[53] Daniel A. Reed,et al. Grids, the TeraGrid, and Beyond , 2003, Computer.
[54] Bernard R Brooks,et al. A core-weighted fitting method for docking atomic structures into low-resolution maps: application to cryo-electron microscopy. , 2003, Journal of structural biology.