| scholarly article | Q13442814 |
| P356 | DOI | 10.1039/C7CP05418A |
| P698 | PubMed publication ID | 29109998 |
| P2093 | author name string | Weiliang Zhu | |
| Jianzhong Chen | |||
| Jinan Wang | |||
| P2860 | cites work | ALK, the chromosome 2 gene locus altered by the t(2;5) in non-Hodgkin's lymphoma, encodes a novel neural receptor tyrosine kinase that is highly related to leukocyte tyrosine kinase (LTK) | Q24336482 |
| Anaplastic thyroid cancers harbor novel oncogenic mutations of the ALK gene | Q24598210 | ||
| Identification of ALK as a major familial neuroblastoma predisposition gene | Q24655923 | ||
| Comparison of simple potential functions for simulating liquid water | Q26778447 | ||
| Very fast prediction and rationalization of pKa values for protein-ligand complexes | Q27144110 | ||
| Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding Site | Q27657572 | ||
| Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain | Q27663479 | ||
| Structure based drug design of crizotinib (PF-02341066), a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK) | Q27671432 | ||
| The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase | Q27671787 | ||
| Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib | Q27688906 | ||
| Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors | Q27703534 | ||
| Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA. | Q43678172 | ||
| Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model | Q46045309 | ||
| Replica exchange and expanded ensemble simulations as Gibbs sampling: simple improvements for enhanced mixing | Q46410418 | ||
| Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for binding and drug resistance | Q46523471 | ||
| Calculations of Solvation Free Energy through Energy Reweighting from Molecular Mechanics to Quantum Mechanics | Q46595732 | ||
| Energetics and structural characterization of the "DFG-flip" conformational transition of B-RAF kinase: a SITS molecular dynamics study | Q48052175 | ||
| Zinc ion-induced conformational changes in new Delphi metallo-β-lactamase 1 probed by molecular dynamics simulations and umbrella sampling. | Q48359993 | ||
| Characterizing the Free-Energy Landscape of MDM2 Protein-Ligand Interactions by Steered Molecular Dynamics Simulations. | Q50905703 | ||
| Effect of electrostatic polarization and bridging water on CDK2-ligand binding affinities calculated using a highly efficient interaction entropy method. | Q51075716 | ||
| Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy. | Q51383023 | ||
| Clarifying binding difference of ATP and ADP to extracellular signal-regulated kinase 2 by using molecular dynamics simulations. | Q51437778 | ||
| Anti-arrhythmic Medication Propafenone a Potential Drug for Alzheimer's Disease Inhibiting Aggregation of Aβ: In Silico and in Vitro Studies. | Q51701925 | ||
| Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics. | Q54422364 | ||
| THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method | Q56157177 | ||
| Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems | Q56750591 | ||
| Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins | Q56776034 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| The role of water in host-guest interaction | Q57943293 | ||
| ??? | Q27690215 | ||
| Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK) | Q27704503 | ||
| Identification of the transforming EML4-ALK fusion gene in non-small-cell lung cancer | Q27851410 | ||
| Genomic alterations of anaplastic lymphoma kinase may sensitize tumors to anaplastic lymphoma kinase inhibitors | Q27851431 | ||
| Anaplastic lymphoma kinase translocation: a predictive biomarker of pemetrexed in patients with non-small cell lung cancer | Q27851652 | ||
| Resensitization to Crizotinib by the Lorlatinib ALK Resistance Mutation L1198F. | Q27853298 | ||
| Comparison of multiple Amber force fields and development of improved protein backbone parameters | Q27861040 | ||
| LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions | Q27861128 | ||
| Fusion of a kinase gene, ALK, to a nucleolar protein gene, NPM, in non-Hodgkin's lymphoma | Q28250347 | ||
| Molecular characterization of ALK, a receptor tyrosine kinase expressed specifically in the nervous system | Q28304840 | ||
| Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations | Q28818600 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit | Q29615867 | ||
| Canonical sampling through velocity rescaling | Q29616131 | ||
| Very fast empirical prediction and rationalization of protein pKa values | Q29619767 | ||
| Statistically optimal analysis of samples from multiple equilibrium states | Q30438437 | ||
| Non-solid oncogenes in solid tumors: EML4-ALK fusion genes in lung cancer | Q33386997 | ||
| The structural basis of ATP as an allosteric modulator | Q34165655 | ||
| ALK in lung cancer: past, present, and future | Q34402260 | ||
| Revealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculations | Q35080674 | ||
| Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir. | Q35650944 | ||
| A New Quantum Calibrated Force Field for Zinc-Protein Complex | Q35846942 | ||
| The anaplastic lymphoma kinase in the pathogenesis of cancer | Q37039605 | ||
| Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy | Q37163377 | ||
| Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis | Q37405719 | ||
| Anaplastic lymphoma kinase: role in cancer pathogenesis and small-molecule inhibitor development for therapy | Q37411178 | ||
| Managing treatment-related adverse events associated with Alk inhibitors | Q37577639 | ||
| Activity and safety of crizotinib in patients with ALK-positive non-small-cell lung cancer: updated results from a phase 1 study | Q37606591 | ||
| Targeting anaplastic lymphoma kinase in lung cancer | Q37834816 | ||
| Anaplastic lymphoma kinase (ALK): structure, oncogenic activation, and pharmacological inhibition | Q38064218 | ||
| Mechanistic insight into ALK receptor tyrosine kinase in human cancer biology | Q38141512 | ||
| Ligand Selectivity Mechanism and Conformational Changes in Guanine Riboswitch by Molecular Dynamics Simulations and Free Energy Calculations | Q38874308 | ||
| Identification of anaplastic lymphoma kinase as a potential therapeutic target in ovarian cancer | Q39351714 | ||
| A Comparative Molecular Dynamics, MM-PBSA and Thermodynamic Integration Study of Saquinavir Complexes with Wild-Type HIV-1 PR and L10I, G48V, L63P, A71V, G73S, V82A and I84V Single Mutants. | Q40298083 | ||
| A Comparative Insight into Amprenavir Resistance of Mutations V32I, G48V, I50V, I54V, and I84V in HIV-1 Protease Based on Thermodynamic Integration and MM-PBSA Methods | Q41442805 | ||
| The selective anaplastic lymphoma receptor tyrosine kinase inhibitor ASP3026 induces tumor regression and prolongs survival in non-small cell lung cancer model mice | Q42707432 | ||
| Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2, | Q42710837 | ||
| Novel covalent modification of human anaplastic lymphoma kinase (ALK) and potentiation of crizotinib-mediated inhibition of ALK activity by BNP7787. | Q43142869 | ||
| Evaluating the potency of HIV-1 protease drugs to combat resistance | Q43196448 | ||
| P433 | issue | 44 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 30239-30248 | |
| P577 | publication date | 2017-11-07 | |
| P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
| P1476 | title | Mutation L1196M-induced conformational changes and the drug resistant mechanism of anaplastic lymphoma kinase studied by free energy perturbation and umbrella sampling. | |
| P478 | volume | 19 |
| Q92581710 | Effect of mutations on binding of ligands to guanine riboswitch probed by free energy perturbation and molecular dynamics simulations |
| Q89602552 | Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method |
| Q61806969 | Insight Into the Binding Mechanism of p53/pDIQ-MDMX/MDM2 With the Interaction Entropy Method |
| Q58710194 | Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5 |
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