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90 in total

1. Requirement for transient metal ions revealed through computational analysis for DNA polymerase going in reverse.

Authors: Lalith Perera; Bret D Freudenthal; William A Beard; David D Shock; Lee G Pedersen; Samuel H Wilson
Journal: Proc Natl Acad Sci U S A Date: 2015-09-08 Impact factor: 11.205

2. Biomimetic Platinum-Promoted Polyene Polycyclizations: Influence of Alkene Substitution and Pre-cyclization Conformations.

Authors: Christina H McCulley; Michael J Geier; Brandi M Hudson; Michel R Gagné; Dean J Tantillo
Journal: J Am Chem Soc Date: 2017-08-03 Impact factor: 15.419

3. Rational redesign of a cation···π···π stacking at cardiovascular Fbw7-Skp1 complex interface and its application for deriving self-inhibitory peptides to disrupt the complex interaction.

Authors: Jing Zhou; Yao-Sheng Wang
Journal: J Mol Model Date: 2017-09-26 Impact factor: 1.810

4. Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM.

Authors: Jia-Ning Wang; Wei Liu; Pengfei Li; Yan Mo; Wenxin Hu; Jun Zheng; Xiaoliang Pan; Yihan Shao; Ye Mei
Journal: J Chem Theory Comput Date: 2021-02-16 Impact factor: 6.006

10. Experimental and theoretical characterization of the strong effects on DNA stability caused by half-sandwich Ru(II) and Ir(III) bearing thiabendazole complexes.

Authors: Javier Santolaya; Natalia Busto; Marta Martínez-Alonso; Gustavo Espino; Jörg Grunenberg; Giampaolo Barone; Begoña García
Journal: J Biol Inorg Chem Date: 2020-09-20 Impact factor: 3.358

The ONIOM Method and Its Applications.

1. Requirement for transient metal ions revealed through computational analysis for DNA polymerase going in reverse.

2. Biomimetic Platinum-Promoted Polyene Polycyclizations: Influence of Alkene Substitution and Pre-cyclization Conformations.

3. Rational redesign of a cation···π···π stacking at cardiovascular Fbw7-Skp1 complex interface and its application for deriving self-inhibitory peptides to disrupt the complex interaction.

4. Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM.

5. Perspective: Quantum mechanical methods in biochemistry and biophysics.

6. Modifications of the chromophore of Spinach aptamer based on QM:MM calculations.

7. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

8. Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase.

9. How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters?

10. Experimental and theoretical characterization of the strong effects on DNA stability caused by half-sandwich Ru(II) and Ir(III) bearing thiabendazole complexes.