Biasing Potential Replica Exchange Multisite λ-Dynamics for Efficient Free Energy Calculations.
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CHARMM-GUI 10 years for biomolecular modeling and simulation.CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2.Gibbs Sampler-Based λ-Dynamics and Rao-Blackwell Estimator for Alchemical Free Energy Calculation.Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics.The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP.Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUS.
P2860
Biasing Potential Replica Exchange Multisite λ-Dynamics for Efficient Free Energy Calculations.
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2015 nî lūn-bûn
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name
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
@en
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
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type
label
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
@en
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
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prefLabel
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
@en
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
@nl
P2093
P2860
P356
P1476
Biasing Potential Replica Exch ...... ient Free Energy Calculations.
@en
P2093
Charles L Brooks
Garrett B Goh
Kira A Armacost
P2860
P304
P356
10.1021/CT500894K
P577
2015-03-01T00:00:00Z