Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 1
Results: 10
Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 56, doi. 10.1002/jcc.26078
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Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 43, doi. 10.1002/jcc.26074
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Systematic Interaction Analysis of Anti‐Human Immunodeficiency Virus Type‐1 Neutralizing Antibodies with High Mannose Glycans Using Fragment Molecular Orbital and Molecular Dynamics Methods.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 31, doi. 10.1002/jcc.26073
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TITAN: A Code for Modeling and Generating Electric Fields—Features and Applications to Enzymatic Reactivity.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 74, doi. 10.1002/jcc.26072
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Large‐Sized Ammonia Clusters and Solvation Energies of the Proton in Ammonia.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 21, doi. 10.1002/jcc.26071
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Determining Optimal Coarse‐Grained Representation for Biomolecules Using Internal Cluster Validation Indexes.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 14, doi. 10.1002/jcc.26070
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Mechanism and Stereoselectivity of the Elementometalation Process of Activated Alkyne RCCR(RCO<sub>2</sub>Me) by Cp<sub>2</sub>TaH<sub>3</sub>.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 6, doi. 10.1002/jcc.26069
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Taba: A Tool to Analyze the Binding Affinity.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 69, doi. 10.1002/jcc.26048
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Issue Information.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 1, doi. 10.1002/jcc.25876
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- Article
Cover Image, Volume 41, Issue 1.
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- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. C1, doi. 10.1002/jcc.25875
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- Article