swMATH3198MaRDI QIDQ15731FDOQ15731
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Official website: http://www.ks.uiuc.edu/Research/namd/
Cited In (only showing first 100 items - show all)
- Fractal and complex network analyses of protein molecular dynamics
- 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
- Spectral accuracy in fast Ewald-based methods for particle simulations
- Progress in developing Poisson-Boltzmann equation solvers
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics
- NAMD2: Greater scalability for parallel molecular dynamics
- A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver
- IMD
- TNPACK
- AMBER
- Algorithmic challenges in computational molecular biophysics
- OOMPAA
- 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
- tabipb
- General purpose molecular dynamics simulations fully implemented on graphics processing units
- PuReMD
- MMM2D
- TABI
- VMD
- DynamO
- SG
- WHAM
- ACEMD
- Apbsmem
- ChaNGa
- OpenAtom
- ms2
- PUMA
- OptiX
- TrpAQP
- DockingApp
- RASPA
- kdtree++
- FMM3D
- ESPResSo++
- MDSimAid
- GalaxyDock
- GalaxySite
- SODOCK
- DelPhiForce
- QHDFoam
- Dirac++
- A multiple time stepping algorithm for efficient multiscale modeling of platelets flowing in blood plasma
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- Monte Carlo simulation of biomolecular systems with BIOMCSIM
- PetFMM -- a dynamically load-balancing parallel fast multipole library
- Numerical simulation of the motion of granular material using object-oriented techniques
- A parallel multiscale simulation toolbox for coupling molecular dynamics and finite elements
- Monitoring energy drift with shadow Hamiltonians
- TrpAQP: computer simulations to determine the selectivity of aquaporins
- Molecular systems with open boundaries: theory and simulation
- Active learning for saddle point calculation
- 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
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