Ушбу иш иқтибос қилган ишлар

68 та иш

Иш: Novel 2-benzoyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole: Synthesis, characterization and computational analysis

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 иқтибос
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Мақола199677 иқтибос
ABI
<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon +4
Мақола202177 иқтибос
ABI
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
Мақола199374 иқтибос
ABI
Hirshfeld surface analysis
Mark A. Spackman, Dylan Jayatilaka
Мақола200861 иқтибос
ABI
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
R. Krishnan, J. Stephen Binkley, Rolf Seeger +1
Мақола198029 иқтибос
ABI
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina, Olivier Michielin, Vincent Zoete
Мақола201722 иқтибос
ABI
Fingerprinting intermolecular interactions in molecular crystals
Mark A. Spackman, Joshua J. McKinnon
Мақола200221 иқтибос
ABI
CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting
Yang Liu, Xiaocong Yang, Jianhong Gan +3
Мақола202217 иқтибос
ABI
<i>CrystalExplorer</i>model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems
Campbell F. R. Mackenzie, Peter R. Spackman, Dylan Jayatilaka +1
Мақола201714 иқтибос
ABI
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
Jérôme Eberhardt, Diogo Santos‐Martins, Andreas F. Tillack +1
Мақола202111 иқтибос
ABI
A quantum theory of molecular structure and its applications
Richard F. W. Bader
Шарҳ мақола19918 иқтибос
ABI
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
Christian Jelsch, Krzysztof Ejsmont, Loïc Huder
Мақола20148 иқтибос
ABI
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
Michael J. Frisch, John A. Pople, J. Stephen Binkley
Мақола19847 иқтибос
ABI
Principles of early drug discovery
J. P. HUGHES, S. Rees, S. Barret Kalindjian +1
Шарҳ мақола20106 иқтибос
ABI
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Julia Contreras‐García, Erin R. Johnson, Shahar Keinan +4
Мақола20116 иқтибос
ABI
ProTox 3.0: a webserver for the prediction of toxicity of chemicals
Priyanka Banerjee, Emanuel Kemmler, Mathias Dunkel +1
Мақола20246 иқтибос
ABI
1,3‐Dipolar Cycloadditions. Past and Future
Rolf Huisgen
Мақола19635 иқтибос
ABI
Ligand efficiency as a guide in fragment hit selection and optimization
Sabine Schultes, Chris de Graaf, Eric Haaksma +3
Мақола20105 иқтибос
ABI
Ligand Binding Efficiency: Trends, Physical Basis, and Implications
Charles H. Reynolds, Brett A. Tounge, Scott D. Bembenek
Мақола20085 иқтибос
ABI
The role of ligand efficiency metrics in drug discovery
Andrew L. Hopkins, György M. Keserű, Paul D. Leeson +2
Шарҳ мақола20145 иқтибос
ABI
RCSB Protein Data Bank: Architectural Advances Towards Integrated Searching and Efficient Access to Macromolecular Structure Data from the PDB Archive
Yana Rose, José M. Duarte, Robert Lowe +8
Мақола20205 иқтибос
ABI
Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)
Misbaudeen Abdul-Hammed, Ibrahim Olaide Adedotun, Victoria Adeola Falade +3
Мақола20215 иқтибос
ABI
Sickle Cell Disease: Current Drug Treatments and Functional Foods with Therapeutic Potential
Elisângela Gonçalves, Slim Smaoui, Miguel Brito +3
Шарҳ мақола20244 иқтибос
ABI
The emerging understanding of sickle cell disease
G. R. Serjeant
Шарҳ мақола20013 иқтибос
ABI