Jeffery B. Klauda
Jeffery B. Klauda
Associate Professor of Chemical Engineering, University of Maryland
Verified email at - Homepage
Cited by
Cited by
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
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
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
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
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
Global distribution of methane hydrate in ocean sediment
JB Klauda, SI Sandler
Energy & Fuels 19 (2), 459-470, 2005
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
A fugacity model for gas hydrate phase equilibria
JB Klauda, SI Sandler
Industrial & engineering chemistry research 39 (9), 3377-3386, 2000
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
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
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
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
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
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
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
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
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
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
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
Predictions of gas hydrate phase equilibria and amounts in natural sediment porous media
JB Klauda, SI Sandler
Marine and Petroleum Geology 20 (5), 459-470, 2003
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