logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
J

Johan Åqvist

uppsala university

63H指数
260论文数
1.6W被引数
收录论文 108
发表时间
logo
Thermodynamic Activation Parameters for Chemical Reactions in Enzymes and Solution from Computer Simulations at a Single Temperature酶和溶液中化学反应的热力学活化参数：基于单一温度下计算机模拟
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-17
err0
errOAAI
errFlorian van der Ent; Andrey O. Demkiv; Johan Åqvist
err分享
err收藏
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site以少胜多：通过聚焦结合位点实现准确且可扩展的配体自由能计算
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-13
err0
errOAAI
errDavid Alencar Araripe; Alejandro Díaz-Holguín; Antti Poso; Gerard J. P. van Westen; Johan Åqvist; Hugo Gutiérrez-de-Terán; Willem Jespers
err分享
err收藏
l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting Step含L-DOPA蛋白质的自动氧化：速率限制性步骤的经验价键模拟
errThe Journal of Physical Chemistry B
IF2.9
err2025-11-23
err0
errOAAI
errGabriel Oanca; Alja Prah; Johan Åqvist; Janez Mavri
err分享
err收藏
Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocol基于混合拓扑自由能协议加速的蛋白质突变效应准确预测
errCommunications Chemistry
IF6.2
err2025-11-20
err0
errOAAI
errLucien Koenekoop; Nadine van de Brug; Willem Jespers; Johan Åqvist; Hugo Gutiérrez-de-Terán
err分享
err收藏
Computer Simulations of the Temperature Dependence of Enzyme Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-30
err0
PREAI
errAqvist, Johan; Brandsdal, Bjorn O.
err分享
err收藏
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-13
err2
errOAAI
errKoenekoop, Lucien; Aqvist, Johan
err分享
err收藏
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-07
err1
errOAAI
errOanca, Gabriel; Aqvist, Johan
err分享
err收藏
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-19
err5
errOAAI
errWilkins, Ryan Scott; Lund, Bjarte Aarmo; Isaksen, Geir Villy; Aqvist, Johan; Brandsdal, Bjorn Olav
err分享
err收藏
Efficient Empirical Valence Bond Simulations with GROMACS
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-25
err12
errOAAI
errOanca, Gabriel; van der Ent, Florian; Aqvist, Johan
err分享
err收藏
Reply to Comment on: Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme
errACS CATALYSIS
IF13.1
err2023-07-28
err1
errOAAI
erraqvist, Johan
err分享
err收藏
Computational design of the temperature optimum of an enzyme reaction
errSCIENCE ADVANCES
IF12.5
err2023-06-30
err6
errOAAI
errvan der Ent, Florian; Skagseth, Susann; Lund, Bjarte A.; Socan, Jaka; Griese, Julia J.; Brandsdal, Bjorn O.; Aqvist, Johan
err分享
err收藏
Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction
errMOLECULAR BIOLOGY AND EVOLUTION
IF5.3
err2023-04-28
err6
errOAAI
errKoenekoop, Lucien; aqvist, Johan
err分享
err收藏
Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-12
err11
errOAAI
errAqvist, Johan; van der Ent, Florian
err分享
err收藏
Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme
errACS CATALYSIS
IF13.1
err2022-01-10
err10
errOAAI
errAqvist, Johan
err分享
err收藏
Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Benzopyran-Based Inhibitors
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2021-04-01
err4
errOAAI
errVanga, Sudarsana Reddy; Aqvist, Johan; Hallberg, Anders; Gutierrez-de-Teran, Hugo
err分享
err收藏
Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family
errELIFE
IF0
err2021-02-10
err18
errOAAI
errGuo, Xiaohu; Soderholm, Annika; Kanchugal, Sandesh P.; Isaksen, Geir, V; Warsi, Omar; Eckhard, Ulrich; Triguis, Silvia; Gogoll, Adolf; Jerlstrom-Hultqvist, Jon; Aqvist, Johan; Andersson, Dan, I; Selmer, Maria
err分享
err收藏
3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-12-29
err21
PREAI
errMajellaro, Maria; Jespers, Willem; Crespo, Abel; Nunez, Maria J.; Novio, Silvia; Azuaje, Jhonny; Prieto-Diaz, Ruben; Gioe, Claudia; Alispahic, Belma; Brea, Jose; Loza, Maria, I; Freire-Garabal, Manuel; Garcia-Santiago, Carlota; Rodriguez-Garcia, Carlos; Garcia-Mera, Xerardo; Caamano, Olga; Fernandez-Masaguer, Christian; Sardina, Javier F.; Stefanachi, Angela; El Maatougui, Abdelaziz; Mallo-Abreu, Ana; Aqvist, Johan; Gutierrez-de-Teran, Hugo; Sotelo, Eddy
err分享
err收藏
Dissecting the Mechanism of (R)-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry
errACS CATALYSIS
IF13.1
err2020-12-07
err9
errOAAI
errMachado, Teresa F. G.; Purg, Miha; McMahon, Stephen A.; Read, Benjamin J.; Oehler, Verena; Aqvist, Johan; Gloster, Tracey M.; da Silva, Rafael G.
err分享
err收藏
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2020-07-22
err20
errOAAI
errJespers, Willem; Verdon, Gregory; Azuaje, Jhonny; Majellaro, Maria; Keranen, Henrik; Garcia-Mera, Xerardo; Congreve, Miles; Deflorian, Francesca; de Graaf, Chris; Zhukov, Andrei; Dore, Andrew S.; Mason, Jonathan S.; Aqvist, Johan; Cooke, Robert M.; Sotelo, Eddy; Gutierrez-de-Teran, Hugo
err分享
err收藏
Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme
errNATURE COMMUNICATIONS
IF15.7
err2020-05-26
err42
errOAAI
errSocan, Jaka; Purg, Miha; Aqvist, Johan
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
B
Benoı̂t Roux
H 指数: 128 · 论文数: 723
A
Arieh Warshel
H 指数: 123 · 论文数: 594
H
Hans Jörnvall
H 指数: 102 · 论文数: 722
P
Per Artursson
H 指数: 94 · 论文数: 375
P
Per Westermark
H 指数: 91 · 论文数: 522
查看更多