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Иш: 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
Мақола201722 иқтибос
ABI
The Protein Data Bank
Helen M. Berman
Мақола200015 иқтибос
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
Мақола20096 иқтибос
ABI
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Sander Pronk, Szilárd Páll, Roland Schulz +9
Мақола20134 иқтибос
ABI
Hydrogen Bonds in Proteins: Role and Strength
Roderick E. Hubbard, Muhammad Kamran Haider
Бошқа20104 иқтибос
ABI
Radius of gyration as an indicator of protein structure compactness
M. Yu. Lobanov, Natalya S. Bogatyreva, Oxana V. Galzitskaya
Мақола20084 иқтибос
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
Мақола20184 иқтибос
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
Мақола20204 иқтибос
ABI
InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening
Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan
Мақола20204 иқтибос
ABI
PASS: prediction of activity spectra for biologically active substances
Alexey A. Lagunin, Alla Stepanchikova, Dmitrii Filimonov +1
Мақола20004 иқтибос
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
Мақола20184 иқтибос
ABI
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
Guo‐Li Xiong, Zhenhua Wu, Jiacai Yi +10
Мақола20214 иқтибос
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
Мақола19963 иқтибос
ABI
Principal Component Analysis for Protein Folding Dynamics
Gia G. Maisuradze, Adam Liwo, Harold A. Scheraga
Мақола20083 иқтибос
ABI
Drug-like properties and the causes of poor solubility and poor permeability
Christopher A. Lipinski
Шарҳ мақола20003 иқтибос
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
Мақола20193 иқтибос
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
Мақола20193 иқтибос
ABI
Principal Component Analysis: A Method for Determining the Essential Dynamics of Proteins
Charles David, Donald J. Jacobs
Мақола20133 иқтибос
ABI
Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)
Jonathan B. Baell
Шарҳ мақола20162 иқтибос
ABI
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
John J. Irwin, Brian K. Shoichet
Мақола20042 иқтибос
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
Мақола20172 иқтибос
ABI
Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
Stewart A. Adcock, J. Andrew McCammon
Шарҳ мақола20062 иқтибос
ABI
What is principal component analysis?
Markus Ringnér
Мақола20082 иқтибос
ABI
The Protein Kinase Complement of the Human Genome
Gerard Manning, D B Whyte, Robert A. Martinez +2
Шарҳ мақола20022 иқтибос
ABI
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden, Ulf Ryde
Шарҳ мақола20152 иқтибос
ABI