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Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculation
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Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approach
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Discovery of a benzofuran derivative (MBPTA) as a novel ROCK inhibitor that protects against MPP+-in
Theoretical studies on beta and delta isoform-specific binding mechanisms of phosphoinositide 3-kina
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Discovery of Novel Inhibitors Targeting the Macrophage Migration Inhibitory Factor via Structure-Bas
Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight i
Modeling Compound-Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes M
Discovery and Optimization of Triazine Derivatives as ROCK1 Inhibitors: Molecular Docking, Molecular
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Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand C
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Pro
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P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues fro
Exploring the prominent performance of CX-4945 derivatives as protein kinase CK2 inhibitors by a com
The competitive binding between inhibitors and substrates of HCV NS3/4A protease: A general mechanis
Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Dockin
Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high
Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using
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