| scholarly article | Q13442814 |
| P50 | author | Johannes Kästner | Q57004811 |
| P2860 | cites work | Canonical dynamics: Equilibrium phase-space distributions | Q21709091 |
| λ-Dynamics free energy simulation methods | Q27489387 | ||
| All-atom empirical potential for molecular modeling and dynamics studies of proteins | Q27860468 | ||
| Some applications of the transition state method to the calculation of reaction velocities, especially in solution | Q29013030 | ||
| QM/MM Free-Energy Perturbation Compared to Thermodynamic Integration and Umbrella Sampling: Application to an Enzymatic Reaction | Q29396026 | ||
| Statistically optimal analysis of samples from multiple equilibrium states | Q30438437 | ||
| Reconstructing potential energy functions from simulated force-induced unbinding processes | Q33907359 | ||
| Dynamic strength of molecular adhesion bonds | Q33915225 | ||
| Molecular dynamics study of unbinding of the avidin-biotin complex | Q33915230 | ||
| Escaping free-energy minima | Q34151010 | ||
| Artificial reaction coordinate "tunneling" in free-energy calculations: the catalytic reaction of RNase H. | Q34994275 | ||
| Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force | Q36793608 | ||
| Basic ingredients of free energy calculations: a review | Q37662435 | ||
| Free energy via molecular simulation: applications to chemical and biomolecular systems | Q38648060 | ||
| Bimolecular reaction rates from ring polymer molecular dynamics | Q39981374 | ||
| Implementation of umbrella integration within the framework of the empirical valence bond approach | Q43157992 | ||
| Umbrella integration in two or more reaction coordinates | Q45255142 | ||
| Calculation of conformation-dependent biomolecular forces. | Q50867834 | ||
| Theory of a systematic computational error in free energy differences. | Q52029803 | ||
| Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration". | Q52994015 | ||
| Comparing measures of sample skewness and kurtosis | Q55878625 | ||
| The Activated Complex in Chemical Reactions | Q56672415 | ||
| QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis | Q56991637 | ||
| Umbrella sampling | Q57229941 | ||
| Analysis of the statistical error in umbrella sampling simulations by umbrella integration | Q57397930 | ||
| Fast-growth thermodynamic integration: Error and efficiency analysis | Q57875225 | ||
| P433 | issue | 23 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 234102 | |
| P577 | publication date | 2012-06-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | Umbrella integration with higher-order correction terms. | |
| P478 | volume | 136 |
| Q36634357 | A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations |
| Q51340438 | An algorithm to find minimum free-energy paths using umbrella integration. |
| Q38986183 | Enhancement of canonical sampling by virtual-state transitions. |
| Q47658579 | Multi-dimensional virtual system introduced to enhance canonical sampling |
| Q51109755 | Nudged-elastic band used to find reaction coordinates based on the free energy. |
| Q37549538 | Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach |
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