297 related articles for article (PubMed ID: 26317889)
1. New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy.
Zhang DW; Xiang Y; Zhang JZ
J Phys Chem B; 2003 Nov; 107(44):12039-41. PubMed ID: 26317889
[TBL] [Abstract][Full Text] [Related]
2. Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex.
Zhang DW; Xiang Y; Gao AM; Zhang JZ
J Chem Phys; 2004 Jan; 120(3):1145-8. PubMed ID: 15268233
[TBL] [Abstract][Full Text] [Related]
3. Fully quantum mechanical energy optimization for protein-ligand structure.
Xiang Y; Zhang DW; Zhang JZ
J Comput Chem; 2004 Sep; 25(12):1431-7. PubMed ID: 15224387
[TBL] [Abstract][Full Text] [Related]
4. Fragment quantum mechanical calculation of proteins and its applications.
He X; Zhu T; Wang X; Liu J; Zhang JZ
Acc Chem Res; 2014 Sep; 47(9):2748-57. PubMed ID: 24851673
[TBL] [Abstract][Full Text] [Related]
5. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
Hafner J
J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
[TBL] [Abstract][Full Text] [Related]
6. Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with molecules.
Chen XH; Zhang DW; Zhang JZ
J Chem Phys; 2004 Jan; 120(2):839-44. PubMed ID: 15267920
[TBL] [Abstract][Full Text] [Related]
7. Fully ab initio protein-ligand interaction energies with dispersion corrected density functional theory.
Antony J; Grimme S
J Comput Chem; 2012 Aug; 33(21):1730-9. PubMed ID: 22570225
[TBL] [Abstract][Full Text] [Related]
8. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
Lu Z; Yang W
J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
[TBL] [Abstract][Full Text] [Related]
9. Quantum study of HIV-1 protease-bridge water interaction.
Duan LL; Tong Y; Mei Y; Zhang QG; Zhang JZ
J Chem Phys; 2007 Oct; 127(14):145101. PubMed ID: 17935445
[TBL] [Abstract][Full Text] [Related]
10. An efficient approach for ab initio energy calculation of biopolymers.
Chen X; Zhang Y; Zhang JZ
J Chem Phys; 2005 May; 122(18):184105. PubMed ID: 15918692
[TBL] [Abstract][Full Text] [Related]
11. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
Li Q; Gusarov S; Evoy S; Kovalenko A
J Phys Chem B; 2009 Jul; 113(29):9958-67. PubMed ID: 19545155
[TBL] [Abstract][Full Text] [Related]
12. Kernel energy method: application to insulin.
Huang L; Massa L; Karle J
Proc Natl Acad Sci U S A; 2005 Sep; 102(36):12690-3. PubMed ID: 16120673
[TBL] [Abstract][Full Text] [Related]
13. Quantum computational analysis for drug resistance of HIV-1 reverse transcriptase to nevirapine through point mutations.
He X; Mei Y; Xiang Y; Zhang DW; Zhang JZ
Proteins; 2005 Nov; 61(2):423-32. PubMed ID: 16114038
[TBL] [Abstract][Full Text] [Related]
14. A new quantum method for electrostatic solvation energy of protein.
Mei Y; Ji C; Zhang JZ
J Chem Phys; 2006 Sep; 125(9):094906. PubMed ID: 16965118
[TBL] [Abstract][Full Text] [Related]
15. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
Miyamoto S; Kollman PA
Proteins; 1993 Jul; 16(3):226-45. PubMed ID: 8346190
[TBL] [Abstract][Full Text] [Related]
16. Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field Parametrization.
Wen S; Beran GJ
J Chem Theory Comput; 2011 Nov; 7(11):3733-42. PubMed ID: 26598268
[TBL] [Abstract][Full Text] [Related]
17. Calculations on noncovalent interactions and databases of benchmark interaction energies.
Hobza P
Acc Chem Res; 2012 Apr; 45(4):663-72. PubMed ID: 22225511
[TBL] [Abstract][Full Text] [Related]
18. Theoretical method for full ab initio calculation of DNA/RNA-ligand interaction energy.
Chen XH; Zhang JZ
J Chem Phys; 2004 Jun; 120(24):11386-91. PubMed ID: 15268172
[TBL] [Abstract][Full Text] [Related]
19. Hartree-Fock-Heitler-London method. 2. First and second row diatomic hydrides.
Corongiu G
J Phys Chem A; 2006 Oct; 110(40):11584-98. PubMed ID: 17020273
[TBL] [Abstract][Full Text] [Related]
20. Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions.
Suárez D; Díaz N; Francisco E; Martín Pendás A
Chemphyschem; 2018 Apr; 19(8):973-987. PubMed ID: 29356250
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
