The following pages link to Gromacs (Q16313):
Displaying 50 items.
- A sparse Markov chain approximation of LQ-type stochastic control problems. (Q326794) (← links)
- Alya: computational solid mechanics for supercomputers (Q338750) (← links)
- Massively parallel Monte Carlo for many-particle simulations on GPUs (Q348164) (← links)
- A stochastic thermostat algorithm for coarse-grained thermomechanical modeling of large-scale soft matters: theory and application to microfilaments (Q348905) (← links)
- The interlayer shear effect on graphene multilayer resonators (Q361442) (← links)
- Orientations of special water dipoles that accelerate water molecules exiting from carbon nanotube (Q414240) (← 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)
- Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interac\-tion (Q428199) (← links)
- Analyzing effects of naturally occurring missense mutations (Q428309) (← links)
- \textsf{ZIBgridfree}: efficient conformational analysis by partition-of-unity coupling (Q460863) (← links)
- Automated parameterization of intermolecular pair potentials using global optimization techniques (Q525739) (← links)
- Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization (Q535293) (← links)
- A reference implementation of the adaptive resolution scheme in \texttt{ESPResSo} (Q547051) (← links)
- Nose-Hoover thermostat length effect on thermal conductivity of single wall carbon nanotubes (Q608775) (← links)
- Molecular dynamics simulation of peeling a DNA molecule on substrate (Q612473) (← links)
- Implementing molecular dynamics on hybrid high performance computers-short range forces (Q634064) (← links)
- Physical modeling of aqueous solvation (Q657804) (← 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)
- \(\Pi\)4U: a high performance computing framework for Bayesian uncertainty quantification of complex models (Q728966) (← links)
- Entropy-based wavelet de-noising method for time series analysis (Q845446) (← links)
- Stochastic and delayed stochastic models of gene expression and regulation (Q846634) (← links)
- Zonal methods for the parallel execution of range-limited \(N\)-body simulations (Q870543) (← links)
- A boundary element formulation of protein electrostatics with explicit ions (Q876460) (← links)
- General purpose molecular dynamics simulations fully implemented on graphics processing units (Q924525) (← links)
- Molecular dynamics of dewetting of ultra-thin water films on solid substrate (Q940481) (← links)
- A comparison of generalized hybrid Monte Carlo methods with and without momentum flip (Q1009981) (← links)
- Protein interaction network analysis -- approach for potential drug target identification in \textit{Mycobacterium tuberculosis} (Q1629014) (← links)
- A novel approach for large-scale polypeptide folding based on elastic networks using continuous optimization (Q1629060) (← links)
- B-spline tight frame based force matching method (Q1640875) (← links)
- A novel method for calculating relative free energy of similar molecules in two environments (Q1687092) (← links)
- Single channel quantum color image encryption algorithm based on HSI model and quantum Fourier transform (Q1703482) (← links)
- Exploration of synthetic multifunctional amides as new therapeutic agents for Alzheimer's disease through enzyme inhibition, chemoinformatic properties, molecular docking and dynamic simulation insights (Q1712847) (← links)
- \textit{In silico} analysis of \textit{plasmodium falciparum} CDPK5 protein through molecular modeling, docking and dynamics (Q1716916) (← links)
- Insights into the interaction of key biofilm proteins in \textit{Pseudomonas aeruginosa} PAO1 with TiO\(_2\) nanoparticle: an \textit{in silico} analysis (Q1717257) (← links)
- Normal mode dynamics of voltage-gated \(\mathrm{K}^+\) channels: gating principle, opening mechanism, and inhibition (Q1732665) (← links)
- Molecular insights of the G2019S substitution in LRRK2 kinase domain associated with Parkinson's disease: A molecular dynamics simulation approach (Q1739268) (← links)
- Generalized Fickian approach for phase separating fluid mixtures in smoothed particle hydrodynamics (Q1739671) (← links)
- Systematic detection of hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand (Q1782509) (← links)
- A modified amino acid network model contains similar and dissimilar weight (Q1929665) (← links)
- A coarse graining method for the dimension reduction of the state space of biomolecules (Q1930498) (← links)
- Coarse grained molecular dynamics and theoretical studies of carbon nanotubes entering cell membrane (Q1939133) (← links)
- Combining stochastic and deterministic approaches within high efficiency molecular simulations (Q1945335) (← links)
- A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness (Q1987969) (← links)
- Dimensionality reduction of complex metastable systems via kernel embeddings of transition manifolds (Q2022651) (← links)
- Molecular dynamics simulation of heat transfer and stresses in thin films caused by a short laser pulse (Q2046393) (← links)
- Data-driven molecular modeling with the generalized Langevin equation (Q2124588) (← links)
- Length scale effect on the buckling behavior of a graphene sheets using modified couple stress theory and molecular dynamics method (Q2132699) (← links)
- A hybrid lattice Boltzmann-molecular dynamics-immersed boundary method model for the simulation of composite foams (Q2133900) (← links)
