Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ(1) and χ(2) dihedral angles
Best, Robert B, Zhu, Xiao, Shim, Jihyun, Lopes, Pedro E M, Mittal, Jeetain, Feig, Michael, Mackerell, Jr, Alexander D
Published in Journal of chemical theory and computation (11.09.2012)
Published in Journal of chemical theory and computation (11.09.2012)
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Journal Article
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
Best, Robert B, Zhu, Xiao, Shim, Jihyun, Lopes, Pedro E. M, Mittal, Jeetain, Feig, Michael, MacKerell, Alexander D
Published in Journal of chemical theory and computation (11.09.2012)
Published in Journal of chemical theory and computation (11.09.2012)
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Journal Article
Molecular Details of the Activation of the μ Opioid Receptor
Shim, Jihyun, Coop, Andrew, MacKerell, Alexander D
Published in The journal of physical chemistry. B (03.07.2013)
Published in The journal of physical chemistry. B (03.07.2013)
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Journal Article
Intrinsic Energy Landscapes of Amino Acid Side-Chains
Zhu, Xiao, Lopes, Pedro E.M, Shim, Jihyun, MacKerell, Alexander D
Published in Journal of chemical information and modeling (25.06.2012)
Published in Journal of chemical information and modeling (25.06.2012)
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Journal Article
Synthesis, Modeling, and Pharmacological Evaluation of UMB 425, a Mixed μ Agonist/δ Antagonist Opioid Analgesic with Reduced Tolerance Liabilities
Healy, Jason R, Bezawada, Padmavani, Shim, Jihyun, Jones, Jace W, Kane, Maureen A, MacKerell, Alexander D, Coop, Andrew, Matsumoto, Rae R
Published in ACS chemical neuroscience (18.09.2013)
Published in ACS chemical neuroscience (18.09.2013)
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Journal Article
Force Field for Peptides and Proteins based on the Classical Drude Oscillator
Lopes, Pedro E M, Huang, Jing, Shim, Jihyun, Luo, Yun, Li, Hui, Roux, Benoît, Mackerell, Jr, Alexander D
Published in Journal of chemical theory and computation (10.12.2013)
Published in Journal of chemical theory and computation (10.12.2013)
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Journal Article
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles
Best, Robert B., Zhu, Xiao, Shim, Jihyun, Lopes, Pedro E. M., Mittal, Jeetain, Feig, Michael, MacKerell, Alexander D.
Published in Journal of chemical theory and computation (11.09.2012)
Published in Journal of chemical theory and computation (11.09.2012)
Get full text
Journal Article
Correction to Intrinsic Energy Landscapes of Amino Acid Side-Chains
Zhu, Xiao, Lopes, Pedro E.M, Shim, Jihyun, MacKerell, Alexander D
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
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Journal Article