排序方式:
    總頁 2 
      Go

    1.A new two-dimensional all-sp3carbon allotrope with an indirect band gap and superior carrier mobility

    Yang, Xing, Xiao, Ru     More...

    Physical Chemistry Chemical Physics[1463-9076], Published 2021, Volume 23, Issue 4, Pages 2906-2913

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2021影響因子:  3.945  发表年影響因子:  3.945 

    2.Exploring the thermodynamic, kinetic and inhibitory mechanisms of 5-iTU targeting mitotic kinase haspin by integrated molecular dynamics

    Wang, QQ, Zhang, QG,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2021, Volume 23, Issue 34, Pages 18404-18413

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2021影響因子:  3.945  发表年影響因子:  3.945 

    3.The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations

    Zhang, Y, Zheng, GX,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2020, Volume 22, Issue 9, Pages 5132-5144

    收錄情况: WOS

    WOS核心合集引用: 14  2021影響因子:  3.945  发表年影響因子:  3.676 

    4.Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods

    Wang, Z, Wang, XW, K     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2020, Volume 22, Issue 10, Pages 5487-5499

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2021影響因子:  3.945  发表年影響因子:  3.676 

    5.The misfolding mechanism of the key fragment R3 of tau protein: a combined molecular dynamics simulation and Markov state model study

    Liu, HL, Zhong, HY,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2020, Volume 22, Issue 19, Pages 10968-10980

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2021影響因子:  3.945  发表年影響因子:  3.676 

    6.Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model

    Zhang, Jintu, Bai, Q     More...

    Physical Chemistry Chemical Physics[1463-9076], Published 2019, Volume 21, Issue 16, Pages 8470-8481

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 12  2021影響因子:  3.945  发表年影響因子:  3.430 

    7.Importance of a crystalline water network in docking-based virtual screening: a case study of BRD4

    Zhong, HY, Wang, Z,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2019, Volume 21, Issue 45, Pages 25276-25289

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 12  2021影響因子:  3.945  发表年影響因子:  3.430 

    8.Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder

    Xue, WW, Wang, PP, T     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2018, Volume 20, Issue 9, Pages 6606-6616

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 82  2021影響因子:  3.945  发表年影響因子:  3.567 

    9.Prediction of the binding mode and resistance profile for a dual-target pyrrolyl diketo acid scaffold against HIV-1 integrase and reverse-transcriptase-associated ribonuclease H

    Yang, FY, Zheng, GX,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2018, Volume 20, Issue 37, Pages 23873-23884

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 25  2021影響因子:  3.945  发表年影響因子:  3.567 

    10.Computational characterization of the selective inhibition of human norepinephrine and serotonin transporters by an escitalopram scaffold

    Zheng, Guoxun, Yang,     More...

    Physical Chemistry Chemical Physics[1463-9076], Published 2018, Volume 20, Issue 46, Pages 29513-29527

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 25  2021影響因子:  3.945  发表年影響因子:  3.567 

    11.The folding mechanism and key metastable state identification of the PrP127-147 monomer studied by molecular dynamics simulations and Markov state model analysis

    Zhou, SY, Wang, QQ,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2017, Volume 19, Issue 18, Pages 11249-11259

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 14  2021影響因子:  3.945  发表年影響因子:  3.906 

    12.Revealing vilazodone's binding mechanism underlying its partial agonism to the 5-HT1A receptor in the treatment of major depressive disorder

    Zheng, GX, Xue, WW,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2017, Volume 19, Issue 42, Pages 28885-28896

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 30  2021影響因子:  3.945  发表年影響因子:  3.906 

    13.Electric-field and strain-tunable electronic properties of MoS2/h-BN/graphene vertical heterostructures

    Zan, WY, Geng, W, Li     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2016, Volume 18, Issue 4, Pages 3159-3164

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 37  2021影響因子:  3.945  发表年影響因子:  4.123 

    14.Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation study

    Xue, WW, Wang, PP, L     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2016, Volume 18, Issue 4, Pages 3260-3271

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 48  2021影響因子:  3.945  发表年影響因子:  4.123 

    15.Computational study on the unbinding pathways of B-RAF inhibitors and its implication for the difference of residence time: insight from random acceleration and steered molecular dynamics simulations

    Niu, YZ, Li, SY, Pan     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2016, Volume 18, Issue 7, Pages 5622-5629

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 30  2021影響因子:  3.945  发表年影響因子:  4.123 

    16.Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power

    Wang, Z, Sun, HY, Ya     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2016, Volume 18, Issue 18, Pages 12964-12975

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 406  2021影響因子:  3.945  发表年影響因子:  4.123 

    17.Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide

    Wang, QQ, Zhou, SY,     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2015, Volume 17, Issue 43, Pages 29103-29112

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 18  2021影響因子:  3.945  发表年影響因子:  4.449 

    18.Effects of the electric field on the properties of ZnO-graphene composites: a density functional theory study

    Geng, W, Zhao, XF, Z     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2014, Volume 16, Issue 8, Pages 3542-3548

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 24  2021影響因子:  3.945  发表年影響因子:  4.493 

    19.Ligand induced change of beta(2) adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis

    Bai, QF, Perez-Sanch     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2014, Volume 16, Issue 30, Pages 15874-15885

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 34  2021影響因子:  3.945  发表年影響因子:  4.493 

    20.Computational study on the interaction between CCR5 and HIV-1 entry inhibitor maraviroc: insight from accelerated molecular dynamics simulation and free energy calculation

    Bai, QF, Zhang, Y, L     More...

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS[1463-9076], Published 2014, Volume 16, Issue 44, Pages 24332-24338

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 21  2021影響因子:  3.945  发表年影響因子:  4.493 

    顯示      條  合計   21   條
      總頁 2 
        Go

      本系統需要使用 Internet Explorer 9.0 以上Firefox || Chrome瀏覽器

      Copyright © 2018 澳門科技大學學者庫