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Ish: Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina, Olivier Michielin, Vincent Zoete
Maqola201722 iqtibos
ABI
The Protein Data Bank
Helen M. Berman
Maqola200015 iqtibos
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
Maqola20096 iqtibos
ABI
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Sander Pronk, Szilárd Páll, Roland Schulz +9
Maqola20134 iqtibos
ABI
Hydrogen Bonds in Proteins: Role and Strength
Roderick E. Hubbard, Muhammad Kamran Haider
Boshqa20104 iqtibos
ABI
Radius of gyration as an indicator of protein structure compactness
M. Yu. Lobanov, Natalya S. Bogatyreva, Oxana V. Galzitskaya
Maqola20084 iqtibos
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
Maqola20184 iqtibos
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
Maqola20204 iqtibos
ABI
InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening
Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan
Maqola20204 iqtibos
ABI
PASS: prediction of activity spectra for biologically active substances
Alexey A. Lagunin, Alla Stepanchikova, Dmitrii Filimonov +1
Maqola20004 iqtibos
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
Maqola20184 iqtibos
ABI
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
Guo‐Li Xiong, Zhenhua Wu, Jiacai Yi +10
Maqola20214 iqtibos
ABI
PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules
Daan M. F. van Aalten, R. P. Bywater, J. B. C. Findlay +3
Maqola19963 iqtibos
ABI
Principal Component Analysis for Protein Folding Dynamics
Gia G. Maisuradze, Adam Liwo, Harold A. Scheraga
Maqola20083 iqtibos
ABI
Drug-like properties and the causes of poor solubility and poor permeability
Christopher A. Lipinski
Sharh maqola20003 iqtibos
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
Maqola20193 iqtibos
ABI
Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma
Mohd. Amir, Shahnawaz Ahmad, Shahzaib Ahamad +9
Maqola20193 iqtibos
ABI
Principal Component Analysis: A Method for Determining the Essential Dynamics of Proteins
Charles David, Donald J. Jacobs
Maqola20133 iqtibos
ABI
Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)
Jonathan B. Baell
Sharh maqola20162 iqtibos
ABI
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
John J. Irwin, Brian K. Shoichet
Maqola20042 iqtibos
ABI
Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression
Farha Naz, Faez Iqbal Khan, Taj Mohammad +8
Maqola20172 iqtibos
ABI
Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
Stewart A. Adcock, J. Andrew McCammon
Sharh maqola20062 iqtibos
ABI
What is principal component analysis?
Markus Ringnér
Maqola20082 iqtibos
ABI
The Protein Kinase Complement of the Human Genome
Gerard Manning, D B Whyte, Robert A. Martinez +2
Sharh maqola20022 iqtibos
ABI
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden, Ulf Ryde
Sharh maqola20152 iqtibos
ABI