GROMOS
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swMATH8091MaRDI QIDQ20105FDOQ20105
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Cited In (28)
- The anticancer drug bleomycin investigated by density functional theory
- Statistical Mechanical Theory of Protein Folding in Water Environment
- Global stability of protein folding from an empirical free energy function
- Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization
- Molecular dynamics study of the fibril elongation of the prion protein fragment PrP106-126
- Split series potential energy function
- Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules
- GANM: A protein-ligand docking approach based on genetic algorithm and normal modes
- A direct approach to conformational dynamics based on hybrid Monte Carlo
- Life sciences grid in EUROGRID and GRIP projects
- An Overview on Protein Structure Determination by NMR: Historical and Future Perspectives of the use of Distance Geometry Methods
- Characterization of optimal carbon nanotubes under stretching and validation of the Cauchy-Born rule
- Molecular modeling, simulation and virtual screening of ribosomal phosphoprotein P1 from \textit{Plasmodium falciparum}
- A simulation method of combinding boundary element method with generalized Langevin dynamics
- A hydrophobicity study on wavy and orthogonal textured surfaces
- Approximation of the Dymond-Rigby-Smith potential function using the Lennard-Jones form
- Stable carbon configurations
- STUDY OF TWO BIOACTIVE PEPTIDES IN VACUUM AND SOLVENT BY MOLECULAR MODELING
- A modular molecular dynamics / quantum dynamics program for non-adiabatic proton transfers in solution
- Heme peroxidase clothing and inhibition with polyphenolic substances revealed by molecular modeling
- MDVRY: a polarizable classical molecular dynamics package for biomolecules
- Conformations of terminal sialyloligosaccharide fragments -- a molecular dynamics study
- Temporal fluctuations in the potential energy of proteins: \(1/f^{\alpha}\) noise and diffusion
- The geometry of \(C_{60}\): a rigorous approach via molecular mechanics
- Monte Carlo simulation of biomolecular systems with BIOMCSIM
- Application of Kihara parameters in conventional molecular force fields
- The GROMOS96 benchmarks for molecular simulation
- Carbon-Nanotube Geometries as Optimal Configurations
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