Jeffery B. Klauda
Jeffery B. Klauda
Associate Professor of Chemical Engineering, University of Maryland
Verified email at umd.edu - Homepage
Title
Cited by
Cited by
Year
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
26022010
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field
J Lee, X Cheng, JM Swails, MS Yeom, PK Eastman, JA Lemkul, S Wei, ...
Journal of chemical theory and computation 12 (1), 405-413, 2016
9192016
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
8882009
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
8492014
Recovery of CO2 from Flue Gas Using Gas Hydrate:  Thermodynamic Verification through Phase Equilibrium Measurements
SP Kang, H Lee
Environmental science & technology 34 (20), 4397-4400, 2000
5842000
Global distribution of methane hydrate in ocean sediment
JB Klauda, SI Sandler
Energy & Fuels 19 (2), 459-470, 2005
5302005
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
3202005
A fugacity model for gas hydrate phase equilibria
JB Klauda, SI Sandler
Industrial & engineering chemistry research 39 (9), 3377-3386, 2000
2682000
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
2142006
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
1872003
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
1702012
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
1412013
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 Jr, ...
Biophysical journal 107 (1), 134-145, 2014
1352014
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), 144710, 2006
1232006
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
1182008
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
1172014
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
1152012
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
1062010
Ab initio intermolecular potentials for gas hydrates and their predictions
JB Klauda, SI Sandler
The Journal of Physical Chemistry B 106 (22), 5722-5732, 2002
1012002
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
1002014
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Articles 1–20