about
Enhanced Monte Carlo Sampling through Replica Exchange with Solute TemperingAdding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.Improved Description of Sulfur Charge Anisotropy in OPLS Force Fields: Model Development and Parameterization.1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations.LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands.Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective BrominationEnhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of BindingMonte Carlo vs Molecular Dynamics for Conformational SamplingAbsolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike InhibitorUnbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse TranscriptaseDevelopment and Testing of the OPLS-AA/M Force Field for RNARobust Free Energy Perturbation Protocols for Creating Molecules in SolutionQM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory
P50
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P50
description
hulumtues
@sq
researcher
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wetenschapper
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հետազոտող
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name
Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
@es
Julian Tirado-Rives
@nl
Julian Tirado-Rives
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type
label
Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tiradorives
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prefLabel
Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
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Julian Tirado-Rives
@nl
Julian Tirado-Rives
@sl
P1053
A-4992-2012
P106
P21
P31
P3829
P496
0000-0001-7330-189X