| review article | Q7318358 |
| scholarly article | Q13442814 |
| P356 | DOI | 10.1016/S0079-6107(98)00021-2 |
| P698 | PubMed publication ID | 9785952 |
| P2093 | author name string | Huber GA | |
| P2860 | cites work | Unified Approach for Molecular Dynamics and Density-Functional Theory | Q21706191 |
| Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides | Q24610354 | ||
| The interpretation of protein structures: Estimation of static accessibility | Q27860750 | ||
| A simplified representation of protein conformations for rapid simulation of protein folding | Q28269973 | ||
| Dynamics of folded proteins | Q28287584 | ||
| Solvation energy in protein folding and binding | Q28307568 | ||
| Classical electrostatics in biology and chemistry | Q29615082 | ||
| Essential dynamics of proteins | Q29616843 | ||
| The nature of protein dipole moments: experimental and calculated permanent dipole of alpha-chymotrypsin. | Q30377040 | ||
| Empirical solvation models can be used to differentiate native from near-native conformations of bovine pancreatic trypsin inhibitor | Q31083650 | ||
| The statistical-thermodynamic basis for computation of binding affinities: a critical review | Q33915676 | ||
| Boundary element solution of macromolecular electrostatics: interaction energy between two proteins | Q34019626 | ||
| Computer modeling of electrostatic steering and orientational effects in antibody-antigen association | Q34128635 | ||
| Dynamic information from protein crystallography. An analysis of temperature factors from refinement of the hen egg-white lysozyme structure | Q34216852 | ||
| Computational methods to predict binding free energy in ligand-receptor complexes | Q34369739 | ||
| Predicting protein diffusion coefficients | Q36266563 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Microscopic theory of the dielectric properties of proteins | Q39638948 | ||
| Modeling the electrophoresis of rigid polyions: application to lysozyme | Q39661671 | ||
| A hybrid approach to theoretical analysis of bovine pancreatic trypsin inhibitor | Q41189832 | ||
| Structure-based drug design: computational advances. | Q41455713 | ||
| A new class of models for computing receptor-ligand binding affinities | Q41504987 | ||
| The determinants of pKas in proteins | Q43795561 | ||
| Faster superoxide dismutase mutants designed by enhancing electrostatic guidance | Q45965859 | ||
| Direct evaluation of thermal fluctuations in proteins using a single-parameter harmonic potential | Q47628195 | ||
| Adaptive Finite-Element Solution of the Nonlinear Poisson-Boltzmann Equation: A Charged Spherical Particle at Various Distances from a Charged Cylindrical Pore in a Charged Planar Surface | Q52270912 | ||
| Virtual rigid body dynamics. | Q52460197 | ||
| Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach. | Q52671795 | ||
| CHARMM: A program for macromolecular energy, minimization, and dynamics calculations | Q53340989 | ||
| AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions | Q53341450 | ||
| A fast algorithm for particle simulations | Q56864323 | ||
| Semianalytical treatment of solvation for molecular mechanics and dynamics | Q56866446 | ||
| The dielectric constant of a folded protein | Q57139026 | ||
| An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation | Q57250708 | ||
| A 240-Fold Electrostatic Rate-Enhancement for Acetylcholinesterase−Substrate Binding Can Be Predicted by the Potential within the Active Site | Q58881346 | ||
| Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program | Q61773837 | ||
| The electrostatically driven Monte Carlo method: application to conformational analysis of decaglycine | Q67939279 | ||
| Free energy calculations by computer simulation | Q69004087 | ||
| Viscoelasticity of protein crystal as a probe of the mechanical properties of a protein molecule. Hen egg-white lysozyme | Q70432160 | ||
| Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins | Q70618652 | ||
| Generalization of Nosé's isothermal molecular dynamics: Non-Hamiltonian dynamics for the canonical ensemble | Q77841750 | ||
| A Leap-frog Algorithm for Stochastic Dynamics | Q97681321 | ||
| Transport properties of oligomeric subunit structures | Q104485429 | ||
| P433 | issue | 2-3 | |
| P304 | page(s) | 483-496 | |
| P577 | publication date | 1998-01-01 | |
| P1433 | published in | Progress in Biophysics and Molecular Biology | Q15753863 |
| P1476 | title | Future directions for combining molecular and continuum models in protein simulations | |
| P478 | volume | 69 |
| Q40242616 | Protocol for MM/PBSA molecular dynamics simulations of proteins | cites work | P2860 |
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