GROMOS

From MaRDI portal
Software:20105



swMATH8091MaRDI QIDQ20105


No author found.





Related Items (28)

Life sciences grid in EUROGRID and GRIP projectsApproximation of the Dymond-Rigby-Smith potential function using the Lennard-Jones formIncreasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large BiomoleculesMolecular modeling, simulation and virtual screening of ribosomal phosphoprotein P1 from \textit{Plasmodium falciparum}Monte Carlo simulation of biomolecular systems with BIOMCSIMTemporal fluctuations in the potential energy of proteins: \(1/f^{\alpha}\) noise and diffusionA hydrophobicity study on wavy and orthogonal textured surfacesMDVRY: a polarizable classical molecular dynamics package for biomoleculesConformations of terminal sialyloligosaccharide fragments -- a molecular dynamics studyStable carbon configurationsCarbon-Nanotube Geometries as Optimal ConfigurationsMolecular dynamics study of the fibril elongation of the prion protein fragment PrP106-126Application of Kihara parameters in conventional molecular force fieldsGANM: A protein-ligand docking approach based on genetic algorithm and normal modesA modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solutionCharacterization of optimal carbon nanotubes under stretching and validation of the Cauchy-Born ruleGlobal stability of protein folding from an empirical free energy functionConvergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimizationA simulation method of combinding boundary element method with generalized Langevin dynamicsSplit series potential energy functionHeme peroxidase clothing and inhibition with polyphenolic substances revealed by molecular modelingThe Geometry of $C_{60}$: A Rigorous Approach via Molecular MechanicsSTUDY OF TWO BIOACTIVE PEPTIDES IN VACUUM AND SOLVENT BY MOLECULAR MODELINGAn Overview on Protein Structure Determination by NMR: Historical and Future Perspectives of the use of Distance Geometry MethodsThe GROMOS96 benchmarks for molecular simulationStatistical Mechanical Theory of Protein Folding in Water EnvironmentA direct approach to conformational dynamics based on hybrid Monte CarloThe anticancer drug bleomycin investigated by density functional theory


This page was built for software: GROMOS