The following pages link to CHARMM (Q18091):
Displayed 50 items.
- A topological approach for protein classification (Q326629) (← links)
- A new Poisson-Nernst-Planck model with ion-water interactions for charge transport in ion channels (Q347032) (← links)
- New solution decomposition and minimization schemes for Poisson-Boltzmann equation in calculation of biomolecular electrostatics (Q349451) (← links)
- A Bayesian framework for adaptive selection, calibration, and validation of coarse-grained models of atomistic systems (Q350057) (← links)
- Protein structure optimization by side-chain positioning via beta-complex (Q367168) (← links)
- Coarse grained normal mode analysis vs. refined Gaussian network model for protein residue-level structural fluctuations (Q371956) (← links)
- Computational and theoretical modeling of intermediate filament networks: structure, mechanics and disease (Q399522) (← links)
- Membrane protein stability analyses by means of protein energy profiles in case of nephrogenic diabetes insipidus (Q428303) (← links)
- Analyzing effects of naturally occurring missense mutations (Q428309) (← links)
- A computational framework for transverse compression of microtubules based on a higher-order Cauchy-Born rule (Q465713) (← links)
- Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization (Q535293) (← links)
- Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming (Q543778) (← links)
- A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: a nanotube application (Q603382) (← links)
- Molecular dynamics simulation of peeling a DNA molecule on substrate (Q612473) (← links)
- Multiscale molecular dynamics using the matched interface and boundary method (Q621913) (← links)
- Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins (Q657769) (← links)
- A new boundary integral equation for molecular electrostatics with charges over whole space (Q657897) (← links)
- Metadynamics study of mutant human interferon-gamma forms (Q692256) (← links)
- A new class of hybrid global optimization algorithms for peptide structure prediction: integrated hybrids (Q709368) (← links)
- Efficient implementation of the many-body reactive bond order (REBO) potential on GPU (Q726964) (← links)
- Discriminate protein decoys from native by using a scoring function based on ubiquitous phi and psi angles computed for all atom (Q738564) (← links)
- Molecular dynamics simulations of tubulin structure and calculations of electrostatic properties of microtubules (Q814202) (← links)
- Atomistic-based continuum constitutive relation for microtubules: elastic modulus prediction (Q836173) (← links)
- Decoding transcriptional regulatory interactions (Q858536) (← links)
- Analytic evaluation of the gradient and Hessian of molecular potential energy functions (Q878964) (← links)
- Determination of protein structure and dynamics combining immune algorithms and pattern search methods (Q884876) (← links)
- A parallel Monte Carlo search algorithm for the conformational analysis of polypeptides (Q973420) (← links)
- Interconnection networks for parallel molecular dynamics simulation based on Hamiltonian cubic symmetric topology (Q1029754) (← links)
- The application of the genetic algorithm to the minimization of potential energy functions (Q1207043) (← links)
- Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation (Q1299698) (← links)
- Masking resonance artifacts in force-splitting methods for biomolecular simulations by extrapolative Langevin dynamics (Q1305947) (← links)
- NAMD2: Greater scalability for parallel molecular dynamics (Q1305980) (← links)
- Molecular dynamics simulation of membranes and a transmembrane helix (Q1305992) (← links)
- Comparative protein structure modeling in genomics (Q1305995) (← links)
- Optimization methods for computing global minima of nonconvex potential energy functions (Q1319002) (← links)
- Dielectric properties of proteins from simulations: Tools and techniques (Q1382668) (← links)
- The waters of life (Q1389046) (← 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)
- Stable carbon configurations (Q1680750) (← links)
- A fast mollified impulse method for biomolecular atomistic simulations (Q1685170) (← links)
- An implicit boundary integral method for computing electric potential of macromolecules in solvent (Q1709017) (← links)
- Tuning interval branch-and-prune for protein structure determination (Q1756761) (← links)
- Characterization of optimal carbon nanotubes under stretching and validation of the Cauchy-Born rule (Q1757149) (← links)
- An optimization approach to the problem of protein structure prediction (Q1764247) (← links)
- Fractal and complex network analyses of protein molecular dynamics (Q1783211) (← links)
- A fast recursive algorithm for molecular dynamics simulation (Q1802287) (← links)
- Mathematical approaches to biomolecular structure and dynamics. Proceedings of the 1994 IMA summer program on molecular biology (Q1814665) (← links)
- Goal-oriented adaptivity and multilevel preconditioning for the Poisson-Boltzmann equation (Q1930931) (← links)
- Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns (Q1943150) (← links)