Automatic atom type and bond type perception in molecular mechanical calculations

Overview of attention for article published in Journal of Molecular Graphics & Modelling, February 2006

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In the top 25% of all research outputs scored by Altmetric
One of the highest-scoring outputs from this source (#9 of 1,070)
High Attention Score compared to outputs of the same age (97th percentile)
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blogs: 2 blogs

patent: 30 patents

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mendeley: 2342 Mendeley
citeulike: 16 CiteULike
connotea: 1 Connotea

So far, Altmetric has seen 6 posts from 2 blogs.

Automatic and Accurate Ligand Structure Determination Guided by Cryo-Electron Microscopy Maps

Science in Seattle, 06 Mar 2023

Advances in cryo-electron microscopy (cryoEM) and deep-learning guided protein structure prediction have expedited structural…

Automated fitting of transition state force fields for biomolecular simulations

Computational Chemistry Daily, 16 Mar 2022

journals.plos.org - The generation of surrogate potential energy functions (PEF) that are orders of magnitude faster to compute…

Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes

Computational Chemistry Daily, 15 Dec 2020

pubs.acs.org - Direct optimization against experimental condensed-phase properties concerning small organic molecules still…

Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies

Computational Chemistry Daily, 28 Nov 2020

pubs.acs.org - Experimental solvation free energies are nowadays commonly included as target properties in the validation and…

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