Concepedia
Journal of Molecular Graphics and Modelling · 2016 · 60 citations · 38 references
BiochemistryMedicineNatural SciencesBioanalysisGlycobiologyHemostasisCoagulopathySilico DesigningClinical ChemistryChemical BiologyPharmacologyHyper-glycosylated AnalogsCarbohydrate-protein InteractionGlycosylation
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 30.3K citations · Full text
Vibronic Interaction, Thermodynamic Modelling, Engineering +13
PROCHECK: a program to check the stereochemical quality of protein structures
Roman A. Laskowski, Malcolm W. MacArthur, D. S. Moss et al. · Journal of Applied Crystallography · 1993 · 24.4K citations
Protein Structures, Procheck Suite, Protein Assembly +14
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 19.5K citations
LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 16.6K citations
Linear Constraint Solver, Bond Constraints, Molecular Sciences +15
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 15.8K citations
Cluster Computing, Engineering, Molecular Biology +21