位置：成果数据库 > 期刊 > 期刊详情页
Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA metho
  • ISSN号：1463-9076
  • 期刊名称：Physical Chemistry Chemical Physics
  • 时间：2014.8.21
  • 页码：16719-16729
  • 相关项目：蛋白质结构域介导的蛋白-蛋白相互作用网络的研究
作者： Li, Youyong|Tian, Sheng|Xu, Lei|Hou, Tingjun|
同期刊论文项目
蛋白质结构域介导的蛋白-蛋白相互作用网络的研究
期刊论文 43
同项目期刊论文
Discovery and Optimization of Triazine Derivatives as ROCK1 Inhibitors
Theoretical Studies on the Susceptibility of Oseltamivir against Variants of 2009 A/H1N1 Influenza N
Drug-likeness Analysis of Traditional Chinese Medicines: Prediction of Drug-likeness Using Machine L
New Use for an Old Drug: Inhibiting ABCG2 with Sorafenib
Understanding microscopic binding of macrophage migration inhibitory factor with phenolic hydrazones
Insight into the Structural Requirements of Narlaprevir-Type Inhibitors of NS3/NS4A Protease Based o
Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculation
A rule-based algorithm for automatic bond type perception
Proteome- wide Detection of Abl1 SH3-binding Peptides by Integrating Computational Prediction and Pe
Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approach
Discovery of Rho-kinase inhibitors by docking-based virtual screening
Recent Developments in Computational Prediction of hERG Blockage
Feasibility of Using Molecular Docking-Based Virtual Screening for Searching Dual Target Kinase Inhi
Current developments of macrophage migration inhibitory factor (MIF) inhibitors
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
ADMET Evaluation in Drug Discovery. 13. Development of in Silico Prediction Models for P-Glycoprotei
Discovery of Novel Inhibitors Targeting the Macrophage Migration Inhibitory Factor via Structure-Bas
Advances in the development of Rho-associated protein kinase (ROCK) inhibitors
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
Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectur
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
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
MORT: a powerful foundational library for computational biology and CADD
Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Dockin
Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling
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
Accelerated Conformational Entropy Calculations Using Graphic Processing Units
Exploring the Binding Mechanisms of MIF to CXCR2 by Theoretical Approaches
Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms o
Characterization of Domain-Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein-