NAMD
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Cited in
(only showing first 100 items - show all)- Large deformation and fracture mechanics of a beta-helical protein nanotube: Atomistic and continuum modeling
- Quantum dot-DNA interaction: Computational issues and preliminary insights on use of quantum dots as biosensors
- Interconnection networks for parallel molecular dynamics simulation based on Hamiltonian cubic symmetric topology
- Algorithmic challenges in computational molecular biophysics
- NAMD2: Greater scalability for parallel molecular dynamics
- IMD
- SudoDEM
- FFLCU
- Monte Carlo simulation of biomolecular systems with BIOMCSIM
- Numerical simulation of the motion of granular material using object-oriented techniques
- TNPACK
- AMBER
- A special purpose array processor architecture for the molecular dynamics simulation of point-mutated proteins
- OOMPAA
- GAMESS
- BIOMCSIM
- Large-scale molecular dynamics simulation of flow under complex structure of endothelial glycocalyx
- TINKER
- Gromacs
- ToSCA
- 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
- A hydrophobicity study on wavy and orthogonal textured surfaces
- SpECTRE: A task-based discontinuous Galerkin code for relativistic astrophysics
- Insights into the molecular mechanisms of protein-ligand interactions by molecular docking and molecular dynamics simulation: a case of oligopeptide binding protein
- ALCON
- Fractal and complex network analyses of protein molecular dynamics
- APBS
- LAMMPS
- CHARMM
- PLUMED
- CPMD
- DESMOND
- ESPResSo
- AdResS
- PetFMM
- A coarse graining method for the dimension reduction of the state space of biomolecules
- Microstructure-dependent dynamic fracture analyses of trabecular bone based on nascent bone atomistic simulations
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns
- A linear assignment approach for the least-squares protein morphing problem
- PNFFT
- SDA
- GROMOS
- GAMESS-UK
- BioShape
- CHARM++
- AFMPB
- FFTSVD
- Fastcap
- Active learning for saddle point calculation
- DL_POLY
- Eucb
- On theoretical upper limits for valid timesteps of implicit ODE methods
- TNAMD
- NAMD2
- AutoDock Vina
- Physics-informed distribution transformers via molecular dynamics and deep neural networks
- Using computational approaches to study dengue virus capsid assembly
- Qmd-plot
- TRAJELIX
- TK
- Using the method of weighted residuals to compute potentials of mean force
- Molecular systems with open boundaries: theory and simulation
- TiReX
- OOPIC
- FreeON
- sPuReMD
- SETTLE
- OpenUH
- X-PLOR
- MACI
- Nanos++
- TASCEL
- spammpack
- CU2CL
- TMSmesh
- PaDEL-Descriptor
- scientific article; zbMATH DE number 1595161 (Why is no real title available?)
- scientific article; zbMATH DE number 1595176 (Why is no real title available?)
- scientific article; zbMATH DE number 1595187 (Why is no real title available?)
- HPGMG
- Milp-hyperbox classification for structure-based drug design in the discovery of small molecule inhibitors of SIRTUIN6
- Petri nets formalism facilitates analysis of complex biomolecular structural data
- FFT, FMM, or multigrid? A comparative study of state-of-the-art Poisson solvers for uniform and nonuniform grids in the unit cube
- DeepVS
- ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models
- Statistical mechanical theory of protein folding in water environment
- Progress in developing Poisson-Boltzmann equation solvers
- DelPhi Web Server
- QMEAN
- A parallel multiscale simulation toolbox for coupling molecular dynamics and finite elements
- PuReMD
- TABI
- PetFMM -- a dynamically load-balancing parallel fast multipole library
- MMM2D
- VMD
- WHAM
- DynamO
- SG
- ACEMD
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