Pages that link to "Q34089389"
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The following pages link to AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins (Q34089389):
Displaying 34 items.
- Charting a Path to Success in Virtual Screening (Q26779035) (← links)
- Structure-Based Design and Synthesis of a New Phenylboronic-Modified Affinity Medium for Metalloprotease Purification. (Q30378977) (← links)
- Characterization of mutants of a tyrosine ammonia-lyase from Rhodotorula glutinis (Q30390377) (← links)
- 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation of Pseudomonas aeruginosa LpxC Inhibitors (Q33754713) (← links)
- Synthesis and biological evaluation of largazole zinc-binding group analogs (Q38707248) (← links)
- Molecular Mechanism of Action for Allosteric Modulators and Agonists in CC-chemokine Receptor 5 (CCR5). (Q38796479) (← links)
- ISOLATION OF NOVEL PARA-PENTYL PHENYL BENZOATE FROM MONDIA WHITEI. (HOOK.F.) SKEELS (PERIPLOCACEAE), ITS STRUCTURE, SYNTHESIS AND NEUROPHARMACOLOGICAL EVALUATION. (Q38799072) (← links)
- An Investigation on the Quantitative Structure-Activity Relationships of the Anti-Inflammatory Activity of Diterpenoid Alkaloids (Q38926578) (← links)
- Covalent docking using autodock: Two-point attractor and flexible side chain methods (Q39721836) (← links)
- Identification of drug-target interaction from interactome network with 'guilt-by-association' principle and topology features (Q40267048) (← links)
- Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An ab initio QM/MM molecular dynamics study (Q43203961) (← links)
- Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes (Q47217749) (← links)
- Discovery of novel non-competitive inhibitors of mammalian neutral M1 aminopeptidase (APN). (Q47720916) (← links)
- Primary mono- and bis-sulfonamides obtained via regiospecific sulfochlorination of N-arylpyrazoles: inhibition profile against a panel of human carbonic anhydrases. (Q48110370) (← links)
- Enzymatic activation of double-targeted 5'-O-L-valyl-decitabine prodrug by biphenyl hydrolase-like protein and its molecular design basis (Q48874796) (← links)
- Prediction of Protein-compound Binding Energies from Known Activity Data: Docking-score-based Method and its Applications (Q50015692) (← links)
- AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking. (Q51304233) (← links)
- Searching the conformational complexity and binding properties of HDAC6 through docking and molecular dynamic simulations. (Q51536484) (← links)
- Molecular Dynamics Studies of Matrix Metalloproteases. (Q53719213) (← links)
- Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges (Q57492456) (← links)
- Trinucleotide Base Pair Stacking Free Energy for Understanding TF-DNA Recognition and the Functions of SNPs (Q61813242) (← links)
- Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment (Q61998568) (← links)
- Metal–ligand interactions in drug design (Q62515266) (← links)
- Novel 8-Substituted Coumarins That Selectively Inhibit Human Carbonic Anhydrase IX and XII (Q64110823) (← links)
- Hydroxamic Acid-Based Histone Deacetylase (HDAC) Inhibitors Bearing a Pyrazole Scaffold and a Cinnamoyl Linker (Q64119715) (← links)
- Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors. (Q64970462) (← links)
- Novel 2-substituted-benzimidazole-6-sulfonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IX and XII and molecular docking studies (Q90180795) (← links)
- Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry (Q90462787) (← links)
- A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors (Q90750705) (← links)
- Identification of Drug-Disease Associations Using Information of Molecular Structures and Clinical Symptoms via Deep Convolutional Neural Network (Q93054805) (← links)
- Finding High-Quality Metal Ion-Centric Regions Across the Worldwide Protein Data Bank (Q93080641) (← links)
- Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines (Q96765712) (← links)
- AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4 (Q99556863) (← links)
- Benzimidazole and Benzoxazole Zinc Chelators as Inhibitors of Metallo-β-Lactamase NDM-1 (Q102204656) (← links)