The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Brownian dynamics simulation of diffusion-influenced bimolecular reactions
Abstract
A method is developed and tested for extracting diffusion-controlled rate constants for condensed phase bimolecular reactions from Brownian dynamics trajectory simulations. This method will be useful when highly detailed model systems are employed, such as those required to explore the complicated range of interactions between enzymes and their substrates. The method is verified by comparing with exact analytical results for simple cases of spheres with uniform reactivity subject to various centrosymmetric Coulombic and Oseen slip hydrodynamic interactions. The utility of the method is illustrated for more complicated cases involving anisotropic reactivity and rotational diffusion.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Brownian dynamics with hydrodynamic interactions
Ermak, D. L., & McCammon, J. A. (1978) · The Journal of Chemical Physics · doi:10.1063/1.436761 · Cited by 2,473
Self-citationBiophysical chemistry. Part III, The behavior of biologicalmacromolecules
Cantor, C. R., & SCHIMMEL, P. R. (1980) · Cited by 500
Biophysical Chemistry Part III: The Behavior of Biological Macromolecules
Cox, R. A. (1981) · FEBS Letters · doi:10.1016/0014-5793(81)80070-1 · Cited by 431
Diffusion-Controlled Reactions
Calef, D. F., & Deutch, J. M. (1983) · Annual Review of Physical Chemistry · doi:10.1146/annurev.pc.34.100183.002425 · Cited by 390
McCammon, J. A. (1984) · Reports on Progress in Physics · doi:10.1088/0034-4885/47/1/001 · Cited by 270
Self-citationRole of orientation constraints and rotational diffusion in bimolecular solution kinetics
Schmitz, K. S., & Schurr, J. M. (1972) · The Journal of Physical Chemistry · doi:10.1021/j100648a015 · Cited by 136
Diffusion-controlled reaction rate to a buried active site
Samson, R., & Deutch, J. M. (1978) · The Journal of Chemical Physics · doi:10.1063/1.435494 · Cited by 91
Orientation constraints and rotational diffusion in bimolecular solution kinetics. A simplification
Schurr, J. M., & Schmitz, K. S. (1976) · The Journal of Physical Chemistry · doi:10.1021/j100558a026 · Cited by 78
Structural and Functional Aspects of Enzyme Catalysis
Eggerer, H., & Huber, R. (1981) · Springer eBooks · doi:10.1007/978-3-642-81738-0 · Cited by 75
Cited by
Computer-Aided Molecular Design
McCammon, J. A. (1987) · Science · doi:10.1126/science.3310236 · Cited by 324
Self-citationSimulation of the diffusional association of barnase and barstar
Gabdoulline, R. R., & Wade, R. C. (1997) · Biophysical Journal · doi:10.1016/s0006-3495(97)78838-6 · Cited by 275
Mechanisms of protein–ligand association and its modulation by protein mutations
Held, M., Metzner, P., Prinz, J.-H., & Noé, F. (2011) · Biophysical Journal · doi:10.1016/j.bpj.2010.12.3699 · Cited by 77
Role of Intrinsically Disordered Regions in Acceleration of Protein–Protein Association
Misiura, M. M., & Kolomeisky, A. B. (2020) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.9b08793 · Cited by 10
Sadiq, S. K., Muñiz Chicharro, A., Friedrich, P., & Wade, R. C. (2021) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.1c00673 · Cited by 8
Metadata
- Authors
- Northrup, S. H., Allison, S. A., & McCammon, J. A.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1984-02-15
- Volume
- 80
- Issue
- 4
- Pages
- 1517-1524
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1989732138
- Cited by
- 356
- References
- 9
- FWCI
- 6.49
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Brownian dynamics simulation of diffusion-influenced bimolecular reactions. https://app.cochat.ai/papers/10.1063/1.446900
- The paper
- Northrup, S. H., Allison, S. A., & McCammon, J. A. (1984). Brownian dynamics simulation of diffusion-influenced bimolecular reactions. The Journal of Chemical Physics. https://doi.org/10.1063/1.446900
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
