CHARMM‐GUI 10 years for biomolecular modeling and simulation
… modules in CHARMM-GUI, demonstrating diverse biomolecular systems that CHARMM-GUI
supports to carry out innovative and novel biomolecular modeling and simulation research …
supports to carry out innovative and novel biomolecular modeling and simulation research …
CHARMM-GUI 10 years for biomolecular modeling and simulation
W Im - Biophysical Journal, 2016 - cell.com
… In this study, we revise LJ parameters in CHARMM force field for pairwise interactions of …
simulating osmosis and electrophoresis phenomena for calcium salts and matching simulation …
simulating osmosis and electrophoresis phenomena for calcium salts and matching simulation …
CHARMM: the biomolecular simulation program
BR Brooks, CL Brooks III… - Journal of …, 2009 - Wiley Online Library
… CHARMM was first described in JCC in 1983,22 although its earlier implementations …
biomolecules for a number of years.23 CHARMM is a general and flexible molecular simulation …
biomolecules for a number of years.23 CHARMM is a general and flexible molecular simulation …
CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates
… to prepare complex biomolecular systems and input files for molecular simulations. During
the 13 years of successful services, CHARMM-GUI has contributed to facilitate molecular …
the 13 years of successful services, CHARMM-GUI has contributed to facilitate molecular …
[HTML][HTML] CHARMM-GUI supports the Amber force fields
… In recent years, several CHARMM-GUI modules have … CHARMM-GUI and used without
further modification to perform μs time scale simulations of chemically very complex biomolecular …
further modification to perform μs time scale simulations of chemically very complex biomolecular …
CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides
PC Hsu, BMH Bruininks, D Jefferies… - 2017 - Wiley Online Library
… an update of CHARMM-GUI Martini Maker for coarse-grained modeling and simulation of
complex … of these membranes are only just being reported in the last couple of years.28, 29 …
complex … of these membranes are only just being reported in the last couple of years.28, 29 …
Calcium parameters in CHARMM force field revisited
M Pourmousa, RM Venable, RW Pastor - Biophysical Journal, 2016 - cell.com
… In recent years, PPI prediction methods based on protein … , such as Ligand Reader & Modeler
for generation of the CHARMM-… useful in advanced biomolecular modeling and simulation. …
for generation of the CHARMM-… useful in advanced biomolecular modeling and simulation. …
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications
… innovative applications in the CHARMM-GUI user community. … ) that cited or used
CHARMM-GUI for membrane simulations, we … of biomolecules is treated by MM. QM/MM Interfacer …
CHARMM-GUI for membrane simulations, we … of biomolecules is treated by MM. QM/MM Interfacer …
CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
K Vanommeslaeghe, AD MacKerell Jr - Biochimica et Biophysica Acta (BBA …, 2015 - Elsevier
… popular biomolecular force fields. Additionally, we present a detailed discussion of the CHARMM
Drude … applications through many years of widespread usage, the availability of longer …
Drude … applications through many years of widespread usage, the availability of longer …
CHARMMing: a new, flexible web portal for CHARMM
… biomolecules. It facilitates building glycoprotein and glycolipid structure files for use with
CHARMM … the ability to generate Sander input files for running molecular dynamics simulations. …
CHARMM … the ability to generate Sander input files for running molecular dynamics simulations. …