| Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types JB Klauda, RM Venable, JA Freites, JW O’Connor, DJ Tobias, ... The journal of physical chemistry B 114 (23), 7830-7843, 2010 | 4282 | 2010 |
| CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016 | 3241 | 2016 |
| CHARMM‐GUI Membrane Builder toward realistic biological membrane simulations EL Wu, X Cheng, S Jo, H Rui, KC Song, EM Dávila‐Contreras, Y Qi, J Lee, ... Journal of computational chemistry 35 (27), 1997-2004, 2014 | 2137 | 2014 |
| CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes S Jo, JB Lim, JB Klauda, W Im Biophysical journal 97 (1), 50-58, 2009 | 1586 | 2009 |
| Global distribution of methane hydrate in ocean sediment JB Klauda, SI Sandler Energy & Fuels 19 (2), 459-470, 2005 | 726 | 2005 |
| CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans J Lee, DS Patel, J Ståhle, SJ Park, NR Kern, S Kim, J Lee, X Cheng, ... Journal of chemical theory and computation 15 (1), 775-786, 2018 | 475 | 2018 |
| A fugacity model for gas hydrate phase equilibria JB Klauda, SI Sandler Industrial & engineering chemistry research 39 (9), 3377-3386, 2000 | 358 | 2000 |
| An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer JB Klauda, BR Brooks, AD MacKerell, RM Venable, RW Pastor The journal of physical chemistry B 109 (11), 5300-5311, 2005 | 357 | 2005 |
| Simulation-based methods for interpreting x-ray data from lipid bilayers JB Klauda, N Kučerka, BR Brooks, RW Pastor, JF Nagle Biophysical journal 90 (8), 2796-2807, 2006 | 254 | 2006 |
| Update of the cholesterol force field parameters in CHARMM JB Lim, B Rogaski, JB Klauda The Journal of Physical Chemistry B 116 (1), 203-210, 2012 | 233 | 2012 |
| Phase behavior of clathrate hydrates: a model for single and multiple gas component hydrates JB Klauda, SI Sandler Chemical Engineering Science 58 (1), 27-41, 2003 | 233 | 2003 |
| CHARMM all-atom additive force field for sphingomyelin: elucidation of hydrogen bonding and of positive curvature RM Venable, AJ Sodt, B Rogaski, H Rui, E Hatcher, AD MacKerell, ... Biophysical journal 107 (1), 134-145, 2014 | 222 | 2014 |
| CHARMM36 united atom chain model for lipids and surfactants S Lee, A Tran, M Allsopp, JB Lim, J Hénin, JB Klauda The journal of physical chemistry B 118 (2), 547-556, 2014 | 197 | 2014 |
| Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics EL Wu, O Engström, S Jo, D Stuhlsatz, MS Yeom, JB Klauda, G Widmalm, ... Biophysical journal 105 (6), 1444-1455, 2013 | 196 | 2013 |
| Improving the CHARMM force field for polyunsaturated fatty acid chains JB Klauda, V Monje, T Kim, W Im The journal of physical chemistry B 116 (31), 9424-9431, 2012 | 178 | 2012 |
| E. coli outer membrane and interactions with OmpLA EL Wu, PJ Fleming, MS Yeom, G Widmalm, JB Klauda, KG Fleming, W Im Biophysical journal 106 (11), 2493-2502, 2014 | 175 | 2014 |
| CHARMMing: a new, flexible web portal for CHARMM BT Miller, RP Singh, JB Klauda, M Hodoscek, BR Brooks, HL Woodcock Iii Journal of chemical information and modeling 48 (9), 1920-1929, 2008 | 152 | 2008 |
| Cholesterol flip-flop: insights from free energy simulation studies S Jo, H Rui, JB Lim, JB Klauda, W Im The Journal of Physical Chemistry B 114 (42), 13342-13348, 2010 | 145 | 2010 |
| Dynamical motions of lipids and a finite size effect in simulations of bilayers JB Klauda, BR Brooks, RW Pastor The Journal of chemical physics 125 (14), 2006 | 145 | 2006 |
| Modeling gas hydrate phase equilibria in laboratory and natural porous media JB Klauda, SI Sandler Industrial & engineering chemistry research 40 (20), 4197-4208, 2001 | 133 | 2001 |
Wonpil ImPresidential Endowed Chair and Professor of Biological Sciences, Lehigh UniversityVerified email at lehigh.edu
