Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
September 20, 2022Protein ScienceOpen Access

CHARMM‐GUI Enhanced Sampler for various collective variables and enhanced sampling methods

View Full Paper
Ask AI
Bookmark
Share

Authors

DSDonghyuk SuhLehigh UniversitySFShasha FengHebei University of EngineeringHLHwa-Young LeeLehigh University

Discussion

Loading...

Member takes

Implication

Key Points

Key points are not available for this paper at this time.

Cite This Study

Suh et al. (2022) studied this question.

synapsesocial.com/papers/6aadde0e13163dee1fdb8bf5https://doi.org/10.1002/pro.4446
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Automated Builder and Database of Protein/Membrane Complexes for Molecular Dynamics Simulations2007 · 1,340 citations
  2. 2Structure of bacterial phospholipid transporter MlaFEDB with substrate bound2020 · 79 citations
  3. 3The Free Energy of Xenon Binding to Myoglobin from Molecular Dynamics Simulation1986 · 138 citations
  4. 4w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations2012 · 43 citations
  5. 5Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables2009 · 438 citations