Graph-based approach to systematic molecular coarse-graining

MA Webb, JY Delannoy… - Journal of chemical theory …, 2018 - ACS Publications
A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …
被引用次数：82 相关文章

Graph-Based Approach to Systematic Molecular Coarse-Graining

MA Webb, JY Delannoy, JJ de Pablo - Journal of Chemical Theory and …, 2018 - osti.gov
A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …

Graph-Based Approach to Systematic Molecular Coarse-Graining.

MA Webb, JY Delannoy, JJ de Pablo - Journal of Chemical Theory …, 2018 - europepmc.org
A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …

[引用][C] A Graph-Based Approach for Systematic Molecular Coarse-Graining

M Webb, J De Pablo - 2018 AIChE Annual Meeting, 2018 - aiche.confex.com

Graph-Based Approach to Systematic Molecular Coarse-Graining

MA Webb, JY Delannoy… - Journal of chemical …, 2019 - pubmed.ncbi.nlm.nih.gov
A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …

Graph-Based Approach to Systematic Molecular Coarse-Graining

MA Webb, JY Delannoy… - Journal of Chemical …, 2019 - collaborate.princeton.edu
A novel methodology is introduced here to generate coarse-grained (CG) representations of
molecular models for simulations. The proposed strategy relies on basic graph-theoretic …