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Journal of Chemical Physics
Results: 373

#	Item
81	THE JOURNAL OF CHEMICAL PHYSICS 127, 195102 共2007兲 Charge state of the fast gate in chloride channels: Insights from electrostatic calculations in a schematic model Rajiv Wijesinghe, Nathan Coorey, and Serdar Kuyuca Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2007-12-13 23:23:24
82	THE JOURNAL OF CHEMICAL PHYSICS 128, 227102 共2008兲 Response to “Comment on ‘Free energy simulations of single and double ion occupancy in gramicidin A’ ” †J. Chem. Phys. 128, 227101 „2008…‡ Turgut Ba Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2009-07-24 02:51:04
83	THE JOURNAL OF CHEMICAL PHYSICS 126, 105103 共2007兲 Free energy simulations of single and double ion occupancy in gramicidin A Turgut Baştuğ and Serdar Kuyucaka兲 School of Physics, University of Sydney, New South Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2007-03-25 20:05:51
84	THE JOURNAL OF CHEMICAL PHYSICS 132, 114510 共2010兲 Dissociation of NaCl in water from ab initio molecular dynamics simulations Jeff Timko, Denis Bucher,a兲 and Serdar Kuyucakb兲 School of Physics, University of Sy Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2011-02-27 21:04:47
85	Time-dependent potential-functional embedding theory Chen Huang, Florian Libisch, Qing Peng, and Emily A. Carter Citation: The Journal of Chemical Physics 140, ); doi: View online: http://dx Add to Reading List Source URL: www.sfb-vicom.at Language: English - Date: 2014-08-07 06:38:34
86	Anisotropic time-resolved solution X-ray scattering patterns from explicit-solvent molecular dynamics Levin U. L. Brinkmann and Jochen S. Hub Citation: The Journal of Chemical Physics 143, ); doi: Add to Reading List Source URL: cmb.bio.uni-goettingen.de Language: English - Date: 2016-05-12 08:18:07
87	THE JOURNAL OF CHEMICAL PHYSICS 128, 155104 共2008兲 Potential of mean force calculations of ligand binding to ion channels from Jarzynski’s equality and umbrella sampling Turgut Baştuğ,1 Po-Chia Chen,2 Swarna M. Add to Reading List Source URL: www.physics.usyd.edu.au Language: English - Date: 2009-07-24 02:50:55
88	THE JOURNAL OF CHEMICAL PHYSICS 129, 024102 共2008兲 Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise Paul Maragakis,1,a兲 Felix Ritort,2 Carlos Bustamante,3 Marti Add to Reading List Source URL: ffn.ub.es Language: English - Date: 2016-03-22 10:41:14
89	Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics This journal is © The Owner Societies 2012 Organic molecules on the surface of water droplets - an energetic perspective - Supporting Infor Add to Reading List Source URL: cmb.bio.uni-goettingen.de Language: English - Date: 2016-05-12 08:18:12
90	THE JOURNAL OF CHEMICAL PHYSICS 126, 046101 共2007兲 A common, avoidable source of error in molecular dynamics integrators Ross A. Lippert, Kevin J. Bowers, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L Add to Reading List Source URL: www.deshawresearch.com Language: English - Date: 2010-09-27 16:06:44 Chemistry Computational chemistry Computational science Constraint algorithm Molecular dynamics