The following pages link to Gromacs (Q16313):
Displayed 50 items.
- Spectral gap of replica exchange Langevin diffusion on mixture distributions (Q2157333) (← links)
- Physics-informed distribution transformers via molecular dynamics and deep neural networks (Q2168329) (← links)
- Molecular dynamics simulations of the full-length prion protein (Q2206962) (← links)
- Molecular dynamics study of the fibril elongation of the prion protein fragment PrP106-126 (Q2209931) (← links)
- A comparative molecular dynamics-phase-field modeling approach to brittle fracture (Q2308704) (← links)
- The mechanism of pulsed electric field (PEF) targeting location on the spatial conformation of pine nut peptide (Q2308880) (← links)
- Numerical aspect of large-scale electronic state calculation for flexible device material (Q2318519) (← links)
- Molecular dynamics. With deterministic and stochastic numerical methods (Q2339767) (← links)
- Folding of SAM-II riboswitch explored by replica-exchange molecular dynamics simulation (Q2351347) (← links)
- Computer modeling of binding of diverse weak toxins to nicotinic acetylcholine receptors (Q2373289) (← links)
- Wavelets as basis functions to represent the coarse-graining potential in multiscale coarse graining approach (Q2374690) (← links)
- A semi-analytical approach to molecular dynamics (Q2374870) (← links)
- Mechanics of water pore formation in lipid membrane under electric field (Q2410589) (← links)
- Molecular crowding effects on conformation and stability of G-quadruplex DNA structure: insights from molecular dynamics simulation (Q2413896) (← links)
- Rational design, conformational analysis and membrane-penetrating dynamics study of Bac2A-derived antimicrobial peptides against gram-positive clinical strains isolated from pyemia (Q2419827) (← links)
- Landmark diffusion maps (L-dMaps): accelerated manifold learning out-of-sample extension (Q2424630) (← links)
- GANM: A protein-ligand docking approach based on genetic algorithm and normal modes (Q2445206) (← links)
- Virtual model validation of complex multiscale systems: applications to nonlinear elastostatics (Q2450416) (← links)
- Why does \(\beta \)-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies (Q2459096) (← links)
- Generator estimation of Markov jump processes (Q2462457) (← links)
- An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics (Q2482261) (← links)
- Potential drug targets in Mycobacterium tuberculosis through metabolic pathway analysis (Q2490497) (← links)
- Heme peroxidase clothing and inhibition with polyphenolic substances revealed by molecular modeling (Q2500270) (← links)
- Guided motion of short carbon nanotube driven by non-uniform electric field (Q2515726) (← links)
- An analysis of wavelet frame based scattered data reconstruction (Q2627889) (← links)
- Molecular modeling, simulation and virtual screening of ribosomal phosphoprotein P1 from \textit{Plasmodium falciparum} (Q2632465) (← links)
- Molecular modeling and molecular dynamics simulations of GPI 14 in \textit{Leishmania major}: insight into the catalytic site for active site directed drug design (Q2632813) (← links)
- Using piecewise polynomials for faster potential function evaluation (Q2655688) (← links)
- High-performance large-scale atomistic simulation of thin films deposition (Q2674994) (← links)
- Computing committors in collective variables via Mahalanobis diffusion maps (Q2689136) (← links)
- Petri nets formalism facilitates analysis of complex biomolecular structural data (Q2805502) (← links)
- ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models (Q2838312) (← links)
- A Meshless Discretization Method for Markov State Models Applied to Explicit Water Peptide Folding Simulations (Q2838321) (← links)
- Progress in developing Poisson-Boltzmann equation solvers (Q2863922) (← links)
- Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques (Q2882806) (← links)
- Nanoscale thermodynamics of biological interfacial tension (Q3088968) (← links)
- Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations (Q3105796) (← links)
- Coarse‐grained molecular dynamics modeling of DNA–carbon nanotube complexes (Q3164527) (← links)
- Coupled Navier-Stokes-Molecular dynamics simulations using a multi-physics flow simulation framework (Q3550238) (← links)
- (Q3593761) (← links)
- (Q3597241) (← links)
- Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning (Q4599999) (← links)
- Classical investigation of long-range coherence in biological systems (Q4601396) (← links)
- An Automatic Adaptive Importance Sampling Algorithm for Molecular Dynamics in Reaction Coordinates (Q4607638) (← links)
- A generalized Newton iteration for computing the solution of the inverse Henderson problem (Q4991511) (← links)
- A Random Batch Ewald Method for Particle Systems with Coulomb Interactions (Q5009910) (← links)
- Connecting the Dots: Numerical Randomized Hamiltonian Monte Carlo with State-Dependent Event Rates (Q5057259) (← links)
- Molecular Dynamics Performance Evaluation with Modern Computer Architecture (Q5122307) (← links)
- Molecular dynamics study of multicomponent droplet dissolution in a sparingly miscible liquid (Q5225992) (← links)
- A theoretical framework for the biophysics of tubulins (Q5233023) (← links)