Работы, на которые ссылается эта работа

Работ: 45

Работа: Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
M Abraham, Teemu J. Murtola, Roland Schulz +4
Статья2015Цитирований: 30
ABI
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina, Olivier Michielin, Vincent Zoete
Статья2017Цитирований: 22
ABI
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
Douglas E. V. Pires, Tom L. Blundell, David B. Ascher
Статья2015Цитирований: 9
ABI
Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case
Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci +2
Статья2009Цитирований: 6
ABI
SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling
Nicolas Guex, Manuel C. Peitsch
Статья1997Цитирований: 5
ABI
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
Zhenming Jin, Xiaoyu Du, Yechun Xu +28
Статья2020Цитирований: 5
ABI
Lead- and drug-like compounds: the rule-of-five revolution
Christopher A. Lipinski
Статья2004Цитирований: 4
ABI
Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis
Alexandros Altis, Moritz Otten, Phuong H. Nguyen +2
Статья2008Цитирований: 4
ABI
Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships
Ahmad Abu Turab Naqvi, Taj Mohammad, Gulam Mustafa Hasan +1
Статья2018Цитирований: 4
ABI
Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies
Taj Mohammad, Shiza Siddiqui, Anas Shamsi +5
Статья2020Цитирований: 4
ABI
InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening
Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan
Статья2020Цитирований: 4
ABI
PASS: prediction of activity spectra for biologically active substances
Alexey A. Lagunin, Alla Stepanchikova, Dmitrii Filimonov +1
Статья2000Цитирований: 4
ABI
Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)
Taj Mohammad, Faez Iqbal Khan, Kevin A. Lobb +3
Статья2018Цитирований: 4
ABI
Principal Component Analysis for Protein Folding Dynamics
Gia G. Maisuradze, Adam Liwo, Harold A. Scheraga
Статья2008Цитирований: 3
ABI
Identification and evaluation of glutathione conjugate gamma-<scp>l</scp>-glutamyl-<scp>l</scp>-cysteine for improved drug delivery to the brain
Saman Fatima, Taj Mohammad, Deeba Shamim Jairajpuri +6
Статья2019Цитирований: 3
ABI
Using AutoDock for Ligand‐Receptor Docking
Garrett M. Morris, Ruth Huey, Arthur J. Olson
Статья2008Цитирований: 3
ABI
Drug-like properties and the causes of poor solubility and poor permeability
Christopher A. Lipinski
Обзорная статья2000Цитирований: 3
ABI
Investigation of deleterious effects of nsSNPs in the <i>POT1</i> gene: a structural genomics‐based approach to understand the mechanism of cancer development
Mohd. Amir, Vijay Kumar, Taj Mohammad +8
Статья2018Цитирований: 3
ABI
Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy
Rashmi Dahiya, Taj Mohammad, Sonam Roy +8
Статья2019Цитирований: 3
ABI
ZINC 15 – Ligand Discovery for Everyone
Teague Sterling, John J. Irwin
Статья2015Цитирований: 2
ABI
Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors
Antonija Kuzmanic, Bojan Žagrović
Статья2010Цитирований: 2
ABI
Essential dynamics of proteins
Andrea Amadei, Antonius B. M. Linssen, Herman J. C. Berendsen
Статья1993Цитирований: 2
ABI
Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)
Jonathan B. Baell
Обзорная статья2016Цитирований: 2
ABI
Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies
Shahid Ali, Faez Iqbal Khan, Taj Mohammad +3
Статья2019Цитирований: 2
ABI
Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy
Taj Mohammad, Anas Shamsi, Saleha Anwar +6
Статья2020Цитирований: 2
ABI