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  1. No Access

    Article

    Identification of Protein–Protein Interaction Associated Functions Based on Gene Ontology

    Protein–protein interactions (PPIs) involve the physical or functional contact between two or more proteins. Generally, proteins that can interact with each other always have special relationships. Some previo...

    Yu-Hang Zhang, FeiMing Huang, JiaBo Li, WenFeng Shen, Lei Chen… in The Protein Journal (2024)

  2. No Access

    Article

    GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening

    A new algorithm is proposed for accelerating chemical structure similarity search by means of graphic processing unit technology. Experiments demonstrate that the new algorithm is on average more than 120-time...

    **n Yan, Qiong Gu, Feng Lu, Jiabo Li, Jun Xu in Molecular Diversity (2012)

  3. No Access

    Article

    Extension of the platform of applicability of the SM5.42R universal solvation model

    We present eight new parameterizations of the SM5.42R solvation model: in particular we present parameterizations for HF/MIDI!, HF/6-31G*, HF/6-31+G*, HF/cc-pVDZ, AM1, PM3, BPW91/MIDI!, and B3LYP/MIDI!. Two of t...

    Jiabo Li, Tianhai Zhu, Gregory D. Hawkins, Paul Winget… in Theoretical Chemistry Accounts (1999)

  4. No Access

    Article

    MIDI! basis set for silicon, bromine, and iodine

    The MIDI! basis set is extended to three new atoms: silicon, bromine, and iodine. The basis functions for these heteroatoms are developed from the standard 3-21G basis set by adding one Gaussian-type d subshell t...

    Jiabo Li, Christopher J. Cramer, Donald G. Truhlar in Theoretical Chemistry Accounts (1998)

  5. No Access

    Article

    Graphical representation of a new algorithm for nonorthogonalab initio valence bond calculations

    A pictorial representation of the algorithm using successive expansion method for the nonorthogonal VB calculations is given. With the help of this representation and the graph analysis, the efficiency of this...

    Jiabo Li in Theoretica chimica acta (1996)

  6. No Access

    Article

    New algorithm for nonorthogonalab initio valence-bond calculations

    A new algorithm for nonorthogonalab initio valence bond calculation has been deduced based on the left-coset decomposition of the symmetric groupS N . The strategy in the new ap...

    Jiabo Li, Wei Wu in Theoretica chimica acta (1994)