swMATH8091MaRDI QIDQ20105FDOQ20105
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Official website: http://www.gromos.net/
Cited In (47)
- The anticancer drug bleomycin investigated by density functional theory
- libMBD
- 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
- An overview on protein structure determination by NMR: historical and future perspectives of the use of distance geometry methods
- 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
- 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
- Carbon-nanotube geometries as optimal configurations
- 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
- BioGRID
- CHARMM
- DOCK
- GANM
- DYANA
- DFTB+
- LINCS
- sapa
- KineticDB
- ProTherm
- I-TASSER
- STUDY OF TWO BIOACTIVE PEPTIDES IN VACUUM AND SOLVENT BY MOLECULAR MODELING
- ARIA
- FoldX
- ACPYPE
- LUDI
- CNS
- Xplor-NIH
- 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
- Q-SiteFinder
- Conformations of terminal sialyloligosaccharide fragments -- a molecular dynamics study
- Temporal fluctuations in the potential energy of proteins: \(1/f^{\alpha}\) noise and diffusion
- Statistical mechanical theory of protein folding in water environment
- 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
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