Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, +2

The Journal of Chemical Physics

EngineeringLiquid-liquid FlowFluid MechanicsComputational ChemistryChemistry +16

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren, +2

The Journal of Chemical Physics

Vibronic InteractionThermodynamic ModellingEngineeringPhysicsNatural Sciences +11

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen, +1

Journal of Computational Chemistry

Linear Constraint SolverBond ConstraintsMolecular SciencesShake AlgorithmEngineering +13

GROMACS 3.0: a package for molecular simulation and trajectory analysis

Erik Lindahl, Berk Hess, David van der Spoel

Journal of Molecular Modeling

Biophysical ModelingEngineeringComputational BiologyMolecular BiologyMolecular Graphic +9

The Genome of the African Trypanosome <i>Trypanosoma brucei</i>

Matthew Berriman, Elodie Ghedin, Christiane Hertz‐Fowler, +98

Science

GeneticsAfrican TrypanosomesMolecular GeneticsGenomicsImmune System +14

The double cubic lattice method: Efficient approaches to numerical integration of surface area and volume and to dot surface contouring of molecular assemblies

Frank Eisenhaber, Philip Lijnzaad, Patrick Argos, +2

Journal of Computational Chemistry

EngineeringSurface ContouringMaterial SimulationComputational ChemistryChemistry +22

Cloning and characterization of BCY1, a locus encoding a regulatory subunit of the cyclic AMP-dependent protein kinase in Saccharomyces cerevisiae.

Takashi Toda, Scott J. Cameron, Philip M. Sass, +6

Molecular and Cellular Biology

Rii Regulatory SubunitsMolecular RegulationGeneticsMolecular BiologyMolecular Genetics +16

Adenosine cyclic 3',5'-monophosphate dependent protein kinase: kinetic mechanism for the bovine skeletal muscle catalytic subunit

Paul Cook, Maynard E. Neville, Kent E. Vrana, +2

Biochemistry

Muscle FunctionAltmetric Attention ScoreMolecular BiologyKinetic MechanismCellular Physiology +16

PKA-I Holoenzyme Structure Reveals a Mechanism for cAMP-Dependent Activation

Choel Kim, Cecilia Y. Cheng, S. Adrian Saldanha, +1

Cell

Signal TransductionMolecular PhysiologyBiochemistryNatural SciencesMolecular Biology +5

Genomic analysis of the eukaryotic protein kinase superfamily: a perspective.

Steven K. Hanks

Genome Biology

Genomic AnalysisGeneticsProtein GeneticsGene StructureProtein Kinase +4