Coarse-grained simulations of proton-dependent conformational changes in lactose permease

Design and modeling of a light powered biomimicry micropump

(2015) Tsun-kay Jackie Sze et al.   JOURNAL OF MICROMECHANICS AND MICROENGINEERING

Further Optimization of a Hybrid United-Atom and Coarse-Grained Force Field for Folding Simulations: Improved Backbone Hydration and Interactions between Charged Side Chains

(2012) Wei Han et al.   Journal of Chemical Theory and Computation

Proton-Coupled Dynamics in Lactose Permease

(2012) Magnus Andersson et al.   STRUCTURE

Parameterization of PACE Force Field for Membrane Environment and Simulation of Helical Peptides and Helix–Helix Association

(2011) Cheuk-Kin Wan et al.   Journal of Chemical Theory and Computation

Crystal structure of lactose permease in complex with an affinity inactivator yields unique insight into sugar recognition

(2011) V. Chaptal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

PACE Force Field for Protein Simulations. 1. Full Parameterization of Version 1 and Verification

(2010) Wei Han et al.   Journal of Chemical Theory and Computation

PACE Force Field for Protein Simulations. 2. Folding Simulations of Peptides

(2010) Wei Han et al.   Journal of Chemical Theory and Computation

Probing the Periplasmic-Open State of Lactose Permease in Response to Sugar Binding and Proton Translocation

(2010) Pushkar Y. Pendse et al.   JOURNAL OF MOLECULAR BIOLOGY

Residues in the H+Translocation Site Define the pKafor Sugar Binding to LacY

(2009) Irina Smirnova et al.   BIOCHEMISTRY

Toward a Coarse-Grained Protein Model Coupled with a Coarse-Grained Solvent Model: Solvation Free Energies of Amino Acid Side Chains

(2008) Wei Han et al.   Journal of Chemical Theory and Computation

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY