The following pages link to NAMD (Q15731):
Displaying 50 items.
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics (Q349451) (← links)
- A short note on the fast evaluation of dihedral angle potentials and their derivatives (Q419638) (← links)
- Spectral accuracy in fast Ewald-based methods for particle simulations (Q422503) (← links)
- A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure (Q460992) (← links)
- A GPU-accelerated direct-sum boundary integral Poisson-Boltzmann solver (Q463018) (← links)
- Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization (Q535293) (← links)
- Eucb: a C++ program for molecular dynamics trajectory analysis (Q538586) (← links)
- TNAMD: Implementation of \texttt{TIGER2} in NAMD (Q546778) (← links)
- Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method (Q550990) (← links)
- Monitoring energy drift with shadow Hamiltonians (Q556289) (← links)
- Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins (Q657769) (← links)
- High performance computing in multiscale problems of gas dynamics (Q669517) (← links)
- Metadynamics study of mutant human interferon-gamma forms (Q692256) (← links)
- Efficient implementation of the many-body reactive bond order (REBO) potential on GPU (Q726964) (← links)
- A multiple time stepping algorithm for efficient multiscale modeling of platelets flowing in blood plasma (Q729044) (← links)
- Parallelization of a level set method for simulating dendritic growth (Q861315) (← links)
- General purpose molecular dynamics simulations fully implemented on graphics processing units (Q924525) (← links)
- Understanding the influence of structural hierarchy and its coupling with chemical environment on the strength of idealized tropocollagen-hydroxyapatite biomaterials (Q985124) (← links)
- Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations (Q996478) (← links)
- Large deformation and fracture mechanics of a beta-helical protein nanotube: Atomistic and continuum modeling (Q1013868) (← links)
- Quantum dot-DNA interaction: Computational issues and preliminary insights on use of quantum dots as biosensors (Q1013883) (← links)
- Interconnection networks for parallel molecular dynamics simulation based on Hamiltonian cubic symmetric topology (Q1029754) (← links)
- Algorithmic challenges in computational molecular biophysics (Q1305945) (← links)
- NAMD2: Greater scalability for parallel molecular dynamics (Q1305980) (← links)
- Monte Carlo simulation of biomolecular systems with BIOMCSIM (Q1348010) (← links)
- Numerical simulation of the motion of granular material using object-oriented techniques (Q1348322) (← links)
- A special purpose array processor architecture for the molecular dynamics simulation of point-mutated proteins (Q1430039) (← links)
- Large-scale molecular dynamics simulation of flow under complex structure of endothelial glycocalyx (Q1615490) (← links)
- A molecular dynamics study of wenzel state water droplets on anisotropic surfaces (Q1645458) (← links)
- A study of the wetting characteristics of a nano-sized water droplet on heterogeneous striped surfaces (Q1645639) (← links)
- A hydrophobicity study on wavy and orthogonal textured surfaces (Q1647187) (← links)
- SpECTRE: A task-based discontinuous Galerkin code for relativistic astrophysics (Q1685419) (← links)
- Insights into the molecular mechanisms of protein-ligand interactions by molecular docking and molecular dynamics simulation: a case of oligopeptide binding protein (Q1728795) (← links)
- Fractal and complex network analyses of protein molecular dynamics (Q1783211) (← links)
- A coarse graining method for the dimension reduction of the state space of biomolecules (Q1930498) (← links)
- Microstructure-dependent dynamic fracture analyses of trabecular bone based on nascent bone atomistic simulations (Q1939754) (← links)
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns (Q1943150) (← links)
- A linear assignment approach for the least-squares protein morphing problem (Q1960195) (← links)
- Active learning for saddle point calculation (Q2103465) (← links)
- On theoretical upper limits for valid timesteps of implicit ODE methods (Q2126967) (← links)
- Physics-informed distribution transformers via molecular dynamics and deep neural networks (Q2168329) (← links)
- Using computational approaches to study dengue virus capsid assembly (Q2183355) (← links)
- Using the method of weighted residuals to compute potentials of mean force (Q2381170) (← links)
- Molecular systems with open boundaries: theory and simulation (Q2405343) (← links)
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- Milp-hyperbox classification for structure-based drug design in the discovery of small molecule inhibitors of SIRTUIN6 (Q2805500) (← links)
- Petri nets formalism facilitates analysis of complex biomolecular structural data (Q2805502) (← links)
- FFT, FMM, or multigrid? A comparative study of state-of-the-art Poisson solvers for uniform and nonuniform grids in the unit cube (Q2815697) (← links)
