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MICHAEL R. SHIRTS
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Name
Affiliation
Papers
MICHAEL R. SHIRTS
Department of Chemical Engineering, University of Virginia, Charlottesville, VA, USA
10
Collaborators
Citations
PageRank
48
107
8.64
Referers
Referees
References
427
230
52
Search Limit
100
427
Publications (10 rows)
Collaborators (48 rows)
Referers (100 rows)
Referees (100 rows)
Title
Citations
PageRank
Year
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
1
0.35
2020
Implementing Adaptive Ensemble Biomolecular Applications at Scale.
0
0.34
2018
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset.
3
0.43
2017
Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset.
0
0.34
2017
Overview adcm43.bhtof the SAMPL5 host-guest challenge: Are we doing better?
0
0.34
2017
Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge
1
0.35
2016
Guidelines for the analysis of free energy calculations.
10
0.75
2015
Converging free energies of binding in cucurbit[7]uril and octa-acid host–guest systems from SAMPL4 using expanded ensemble simulations
7
0.60
2014
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
76
4.58
2013
Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics.
9
0.57
2013
1