Journal of Chemical Theory and Computation
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Evaluating Force Fields for the Computational Prediction of Ionized Arginine and Lysine Side-Chains Partitioning into Lipid Bilayers and Octanol
Journal of Chemical Theory and Computation - Tập 11 Số 4 - Trang 1775-1791 - 2015
The MARTINI Coarse-Grained Force Field: Extension to Proteins
Journal of Chemical Theory and Computation - Tập 4 Số 5 - Trang 819-834 - 2008
Dimerization of Amino Acid Side Chains: Lessons from the Comparison of Different Force Fields
Journal of Chemical Theory and Computation - Tập 8 Số 3 - Trang 1003-1014 - 2012
Water Defect and Pore Formation in Atomistic and Coarse-Grained Lipid Membranes: Pushing the Limits of Coarse Graining
Journal of Chemical Theory and Computation - Tập 7 Số 9 - Trang 2981-2988 - 2011
Using the Wimley–White Hydrophobicity Scale as a Direct Quantitative Test of Force Fields: The MARTINI Coarse-Grained Model
Journal of Chemical Theory and Computation - Tập 7 Số 7 - Trang 2316-2324 - 2011
Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms
Journal of Chemical Theory and Computation - Tập 3 Số 6 - Trang 2312-2334 - 2007
Assessing Excited State Methods by Adiabatic Excitation Energies
Journal of Chemical Theory and Computation - Tập 7 Số 8 - Trang 2376-2386 - 2011
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Journal of Chemical Theory and Computation - Tập 12 Số 1 - Trang 405-413 - 2016
<sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields
Journal of Chemical Theory and Computation - Tập 16 Số 5 - Trang 2896-2913 - 2020
ReaxFF/AMBER—A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Journal of Chemical Theory and Computation - Tập 16 Số 12 - Trang 7645-7654 - 2020
Tổng số: 34
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