Results 251 to 260 of about 9,251,104 (264)

The COMPASS force field: parameterization and validation for phosphazenes

Computational and Theoretical Polymer Science, 1998
Pengyu Ren
exaly  

Increasing the precision of comparative models with YASARA NOVA—a self-parameterizing force field

Proteins: Structure, Function and Bioinformatics, 2002
Gert Vriend, Günther Koraimann, Elmar Krieger   +2 more
exaly  

: A force field database for cementitious materials including validations, applications and opportunities

Cement and Concrete Research, 2017
Aslam Kunhi Mohamed, Hegoi Manzano, Ratan Mishra   +2 more
exaly  

SwissParam: A fast force field generation tool for small organic molecules

Journal of Computational Chemistry, 2011
Michel A Cuendet, Vincent Zoete, Olivier Michielin   +2 more
exaly  

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

European Biophysics Journal, 2011
Alan Mark, Wilfred F van Gunsteren, Sereina Riniker   +2 more
exaly  

Inorganic and bioinorganic molecular mechanics modeling—the problem of the force field parameterization

Coordination Chemistry Reviews, 2003
Peter Comba
exaly  

An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

Journal of Computational Chemistry, 2001
Lukas D. Schuler, Xavier Daura, Wilfred F van Gunsteren   +2 more
exaly  

Time-averaged total force on a dipolar sphere in an electromagnetic field

Optics Letters, 2000
Manuel Nieto-Vesperinas
exaly  

An online parameter and property database for the TraPPE force field

Molecular Simulation, 2014
Becky L Eggimann, Joern Ilja Siepmann
exaly  

Deriving force field parameters for coordination complexes

Coordination Chemistry Reviews, 2001
Per-Ola Norrby, Peter Brandt
exaly