NAMD
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Cited in
(only showing first 100 items - show all)- Molecular systems with open boundaries: theory and simulation
- Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization
- Eucb: a C++ program for molecular dynamics trajectory analysis
- Active learning for saddle point calculation
- High performance computing in multiscale problems of gas dynamics
- Insights into the molecular mechanisms of protein-ligand interactions by molecular docking and molecular dynamics simulation: a case of oligopeptide binding protein
- Overcoming instabilities in Verlet-I/r-RESPA with the mollified impulse method
- Metadynamics study of mutant human interferon-gamma forms
- Fractal and complex network analyses of protein molecular dynamics
- TNAMD: Implementation of \texttt{TIGER2} in NAMD
- Large-scale molecular dynamics simulation of flow under complex structure of endothelial glycocalyx
- FFT, FMM, or multigrid? A comparative study of state-of-the-art Poisson solvers for uniform and nonuniform grids in the unit cube
- A short note on the fast evaluation of dihedral angle potentials and their derivatives
- Large deformation and fracture mechanics of a beta-helical protein nanotube: Atomistic and continuum modeling
- Parallel molecular dynamics with irregular domain decomposition
- scientific article; zbMATH DE number 1595161 (Why is no real title available?)
- scientific article; zbMATH DE number 1595176 (Why is no real title available?)
- Spectral accuracy in fast Ewald-based methods for particle simulations
- Understanding the influence of structural hierarchy and its coupling with chemical environment on the strength of idealized tropocollagen-hydroxyapatite biomaterials
- SpECTRE: A task-based discontinuous Galerkin code for relativistic astrophysics
- Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations
- Progress in developing Poisson-Boltzmann equation solvers
- On theoretical upper limits for valid timesteps of implicit ODE methods
- Targeted Mollified Impulse: A Multiscale Stochastic Integrator for Long Molecular Dynamics Simulations
- The GROMACS and NAMD software packages comparison.
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
- A special purpose array processor architecture for the molecular dynamics simulation of point-mutated proteins
- scientific article; zbMATH DE number 1405381 (Why is no real title available?)
- Efficient implementation of the many-body reactive bond order (REBO) potential on GPU
- scientific article; zbMATH DE number 1595187 (Why is no real title available?)
- A molecular dynamics study of wenzel state water droplets on anisotropic surfaces
- A study of the wetting characteristics of a nano-sized water droplet on heterogeneous striped surfaces
- NAMD2: Greater scalability for parallel molecular dynamics
- Quantum dot-DNA interaction: Computational issues and preliminary insights on use of quantum dots as biosensors
- A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver
- A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure
- IMD
- TNPACK
- AMBER
- OOMPAA
- BIOMCSIM
- GAMESS
- Gromacs
- TINKER
- ToSCA
- ALCON
- APBS
- CHARMM
- LAMMPS
- CPMD
- DESMOND
- PLUMED
- AdResS
- ESPResSo
- PetFMM
- PNFFT
- GROMOS
- GAMESS-UK
- SDA
- BioShape
- CHARM++
- AFMPB
- FFTSVD
- Fastcap
- DL_POLY
- Eucb
- AutoDock Vina
- NAMD2
- TNAMD
- Qmd-plot
- TRAJELIX
- TK
- OOPIC
- FreeON
- TiReX
- SETTLE
- OpenUH
- MACI
- sPuReMD
- X-PLOR
- CU2CL
- Nanos++
- spammpack
- TASCEL
- PaDEL-Descriptor
- TMSmesh
- HPGMG
- DeepVS
- DelPhi Web Server
- QMEAN
- PuReMD
- MMM2D
- TABI
- VMD
- DynamO
- SG
- WHAM
- ACEMD
- Apbsmem
- ChaNGa
This page was built for software: NAMD
