The following pages link to CHARMM (Q18091):
Displayed 50 items.
- Performance of protein-ligand docking with CDK4/6 inhibitors: a case study (Q1980088) (← links)
- Biomolecular topology: modelling and analysis (Q2096944) (← links)
- Modern methods and software systems of molecular modeling and application of behavior algebra (Q2103753) (← links)
- Atom-specific persistent homology and its application to protein flexibility analysis (Q2183365) (← links)
- The de Rham-Hodge analysis and modeling of biomolecules (Q2195628) (← links)
- Reliable computer simulation methods for electrostatic biomolecular models based on the Poisson-Boltzmann equation (Q2215542) (← links)
- Energy-momentum conserving integration schemes for molecular dynamics (Q2241865) (← links)
- On preconditioning the treecode-accelerated boundary integral (TABI) Poisson-Boltzmann solver (Q2311657) (← links)
- Molecular dynamics. With deterministic and stochastic numerical methods (Q2339767) (← links)
- Global optimization of protein-peptide docking by a filling function method (Q2342145) (← links)
- Mobile localized solutions for an electron in lattices with dispersive and non-dispersive phonons (Q2356932) (← links)
- Computer modeling of binding of diverse weak toxins to nicotinic acetylcholine receptors (Q2373289) (← links)
- A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvation (Q2378067) (← 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)
- Complex dynamics of a pyranose ring structure molecule attached to an atomic force micro\-scope (Q2458304) (← links)
- A hidden Markov model with molecular mechanics energy-scoring function for transmembrane helix prediction (Q2490540) (← links)
- Fitting timeseries by continuous-time Markov chains: a quadratic programming approach (Q2508906) (← links)
- Modal reduction of mathematical models of biological molecules (Q2572799) (← links)
- Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions (Q2638231) (← links)
- A Cartesian FMM-accelerated Galerkin boundary integral Poisson-Boltzmann solver (Q2687546) (← links)
- Petri nets formalism facilitates analysis of complex biomolecular structural data (Q2805502) (← links)
- The Geometry of $C_{60}$: A Rigorous Approach via Molecular Mechanics (Q2827059) (← links)
- An Overview on Protein Structure Determination by NMR: Historical and Future Perspectives of the use of Distance Geometry Methods (Q2841717) (← links)
- Progress in developing Poisson-Boltzmann equation solvers (Q2863922) (← links)
- A Stochastic Solver of the Generalized Born Model (Q2863925) (← links)
- Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding (Q2863933) (← links)
- (Q2865653) (← links)
- BetaSCP2: A Program for the Optimal Prediction of Side-Chains in Proteins (Q2879144) (← links)
- PetFMM-A dynamically load-balancing parallel fast multipole library (Q3017992) (← links)
- DL_POLY_2 adaptations for solvation studies (Q3019830) (← links)
- Comparison of the Ewald and Wolf methods for modeling electrostatic interactions in nanowires (Q3065660) (← links)
- Fast Molecular Solvation Energetics and Forces Computation (Q3066215) (← links)
- Parameter Estimation for Partially Observed Hypoelliptic Diffusions (Q3551031) (← links)
- DelEnsembleElec: Computing Ensemble-Averaged Electrostatics Using DelPhi (Q4588748) (← links)
- DelPhi Web Server: A Comprehensive Online Suite for Electrostatic Calculations of Biological Macromolecules and Their Complexes (Q4588750) (← links)
- Molecular nonlinear dynamics and protein thermal uncertainty quantification (Q4591525) (← links)
- Carbon-Nanotube Geometries as Optimal Configurations (Q4601600) (← links)
- Finite Element Modeling of Biomolecular Systems in Ionic Solution (Q4689125) (← links)
- The General Utility Lattice Program (<scp>GULP</scp>) (Q4810884) (← links)
- (Q4913881) (← links)
- Computational Physics (Q4921548) (← links)
- A Random Batch Ewald Method for Particle Systems with Coulomb Interactions (Q5009910) (← links)
- A Linear Scaling in Accuracy Numerical Method for Computing the Electrostatic Forces in the $N$-Body Dielectric Spheres Problem (Q5163187) (← links)
- Bone Remodelling in BioShape (Q5404084) (← links)
- (Q5457156) (← links)
- Large-scale molecular dynamics simulation of DNA: implementation and validation of the AMBER98 force field in LAMMPS (Q5472061) (← links)
- (Q5484139) (← links)
- Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems (Q5485090) (← links)
- (Q5687020) (← links)