深圳市计算化学与药物设计重点实验室
Lab of Computational Chemistry and Drug Design

组会报告

 

20141017_Zou Xu-Dong_Nonnatural protein-protein Interaction-pair Design

20141017_Zou Xu-Dong_Nonnatural protein-protein Interaction-pair Design

 

 

20141017_Cao Yang_The Assembly of the ClpA and ClpP

20141017_CaoYang_The Assembly of the ClpA and ClpP

 

 

20140926_Zhang Xiao-Xiao_Binding free energy theory and MMPBSA method

20140926_Zhang Xiao-Xiao_Binding free energy theory and MMPBSA method

 

20140919_Cheng Gui-Juan_ Control Cross-Selectivity in Cross Coupling Reactions

20140919_Cheng Gui-Juan_ Control Cross-Selectivity in Cross Coupling Reactions

20140919_Xun Sunny_Application of the Markov State Model to Molecular Dynamics

20140919_Xun Sunny_Application of the Markov State Model to Molecular Dynamics

 

20140912_Liu Zi-Ye_C-terminus

20140912_Liu Zi-Ye_C-terminus

 

20140912_Chen Ping_High-Throughput Discovery of New Chemical Reactions by Mass Spectrometry

20140912_Chen Ping_High-Throughput Discovery of New Chemical Reactions by Mass Spectrometry

 

20140912_Hu Xue-Jia_Protein Repeats

20140912_Hu Xue-Jia_Protein Repeats

 

20140905_Song Li-Juan_The Activation Strain Model

20140905_Song Li-Juan_The Activation Strain Model

 20140820_Chen Ping_The 29th CCS Congress

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20140820_Zhang Xiao-Xiao_Classification of Water Molecules at The Ligand-Binding SiteTarget Data

20140820_Zhang Xiao-Xiao_Classification of Water Molecules at The Ligand-Binding Site

 

20140820_Xu Li-Ping_Automated Force Field Parameterization for Atomic Models Based on Ab Initio Target Data

20140820_Xu Li-Ping_Automated Force Field Parameterization for Atomic Models Based on Ab Initio Target Data

 

20140513_Han Ge_Introduction to The Alzheimer’s Disease Related Genes

20140513_Han Ge_Introduction to The Alzheimer’s Disease Related Genes

 

20140513_Zhou Chen-Yang_Literature Report Folate Induced Conformational Change for Methyl Transfer

20140513_Zhou Chen-Yang_Literature Report Folate Induced Conformational Change for Methyl Transfer

 

20140418_Cheng Gui-Juan_Kinetic Isotope Effects in Transition Metal-catalyzed C-H Activation

20140418_Cheng Gui-Juan_Kinetic Isotope Effects in Transition Metal-catalyzed C-H Activation

 

20140418_Zou Xu-Dong_The Origination of New Genes

20140418_Zou Xu-Dong_The Origination of New Genes

 

20140411_Song Li-Juan_Transition Metal-based Potential Therapy for Alzheimer’s Disease

20140411_Song Li-Juan_Transition Metal-based Potential Therapy for Alzheimer’s Disease

 

20140103_Wang Yang_Direct-Coupling Analysis (DCA) in Protein Structure

20140103_Wang Yang_Direct-Coupling Analysis (DCA) in Protein Structure

 

20140103_Yang Yun-Fang_methyl effect

20140103_Yang Yun-Fang_methyl effect

 

20131227_Xu Li-Ping_Predicting and Optimizing Asymmetric Catalyst Performance Using the Principles of Experimental Design and Steric and Electronic Parameters

20131227_Xu Li-Ping_Predicting and Optimizing Asymmetric Catalyst Performance Using the Principles of Experimental Design and Steric and Electronic Parameters

 

20131227-Cheng Gui-Juan_Amyloid β-Protein Oligomers and Alzheimer Disease

20131227-Cheng Gui-Juan_Amyloid β-Protein Oligomers and Alzheimer Disease

 

20131219_Zou Xun-Dong_R Basics

20131219_Zou Xun-Dong_R Basics

 

20131219_Hu Xue-Jia_The Hidden Codes That Shape Protein Evolution

20131219_Hu Xue-Jia_The Hidden Codes That Shape Protein Evolution

 

20131213_Zhou Chen-Yang_Principal Component Analysis in MD Simulation

20131213_Zhou Chen-Yang_Principal Component Analysis in MD Simulation

 

20131206_Sun Tian-Yu_How to Get the Binding Energy by Mass Spectrometry

20131206_Sun Tian-Yu_How to Get the Binding Energy by Mass Spectrometry

20131206_Sun Tian-Yu_How to Get the Binding Energy by Mass Spectrometry_1

 

20131206_Chen Ping_Chiral Recognition detected by Mass Spectrometry    –   article

20131206_Chen Ping_Chiral Recognition detected by Mass Spectrometry

 

20131204_seminar_Song Li-Juan_N-Methylated Cyclic Peptides Relationship between Structure and Property

20131204_seminar_Song Li-Juan_N-Methylated Cyclic Peptides Relationship between Structure and Property

 

20131129_Cheng Gui-Juan_Roles of Bases in Transition-Metal Catalyzed Organic Reactions

20131129_Cheng Gui-Juan_Roles of Bases in Transition-Metal Catalyzed Organic Reactions

 

20131123_Geng Hao_Brief Introduction on Mechanism of Cyclosporin

20131123_geng hao_Brief Introduction on Mechanism of Cyclosporin

 

20131122_Xu Li-ping_Computational Design of Ligand-binding Proteins with High Affinity and Selectivity

20131122_XU Liping_Computational Design of Ligand-binding Proteins with High Affinity and Selectivity

 

20131108_Zou Xu-Dong_Epistasis, Molecular mechanism, Im