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
D

Davide Mandelli

helmholtz association

15H指数
53论文数
1.5K被引数
收录论文 25
发表时间
logo
Protonation-dependent substrate release in a bacterial homolog of vesicular glutamate质子化依赖的底物释放机制在细菌囊泡谷氨酸转运蛋白同源物中的作用
errBiophysical Journal
IF3.1
err2026-02-21
err0
errOAAI
errCharles Plate; Natalia Dmitrieva; Samira Gholami; Mercedes Alfonso-Prieto; Sanket A. Deshmukh; Davide Mandelli; Paolo Carloni; Christoph Fahlke
err分享
err收藏
MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC SimulationsMiMiCPy-FM：一种用于扩展量子力学/分子力学分子动力学MiMiC模拟时间尺度的用户友好力匹配工具
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-01
err0
errOAAI
errShivakumar, Sachin; Frumenzio, Giorgia; Musiani, Francesco; Affinito, Fabio; Ippoliti, Emiliano; Raghavan, Bharath; Rossetti, Giulia; Mandelli, Davide; Carloni, Paolo
err分享
err收藏
High performance-oriented computer aided drug design approaches in the exascale eraexascale时代面向高性能的计算机辅助药物设计方法
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2025-02-20
err0
PREAI
errRizzi, Andrea; Mandelli, Davide
err分享
err收藏
3D DFT by block tensor-matrix multiplication via a modified Cannon's algorithm: Implementation and scaling on distributed-memory clusters with fat tree networks通过改进的Cannon算法通过块张量矩阵乘法进行3D DFT: 在具有胖树网络的分布式内存集群上实现和缩放
errJOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
IF4
err2024-11-01
err0
errOAAI
errMalapally, Nitin; Bolnykh, Viacheslav; Suarez, Estela; Carloni, Paolo; Lippert, Thomas; Mandelli, Davide
err分享
err收藏
MiMiC: A high-performance framework for multiscale molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-11
err1
errOAAI
errAntalik, Andrej; Levy, Andrea; Kvedaraviciute, Sonata; Johnson, Sophia K.; Carrasco-Busturia, David; Raghavan, Bharath; Mouvet, Francois; Acocella, Angela; Das, Sambit; Gavini, Vikram; Mandelli, Davide; Ippoliti, Emiliano; Meloni, Simone; Carloni, Paolo; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
err分享
err收藏
How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-06-01
err8
errOAAI
errRossetti, Giulia; Mandelli, Davide
err分享
err收藏
Effective data-driven collective variables for free energy calculations from metadynamics of paths
errPNAS NEXUS
IF3.8
err2024-04-12
err4
errOAAI
errMullender, Lukas; Rizzi, Andrea; Parrinello, Michele; Carloni, Paolo; Mandelli, Davide
err分享
err收藏
Kinetic and structural details of urease inactivation by thiuram disulphides
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2024-01-01
err2
errOAAI
errMazzei, Luca; Paul, Arundhati; Cianci, Michele; Devodier, Marta; Mandelli, Davide; Carloni, Paolo; Ciurli, Stefano
err分享
err收藏
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-06-15
err30
errOAAI
errRaghavan, Bharath; Paulikat, Mirko; Ahmad, Katya; Callea, Lara; Rizzi, Andrea; Ippoliti, Emiliano; Mandelli, Davide; Bonati, Laura; De Vivo, Marco; Carloni, Paolo
err分享
err收藏
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-02-22
err4
errOAAI
errRaghavan, Bharath; Schackert, Florian K.; Levy, Andrea; Johnson, Sophia K.; Ippoliti, Emiliano; Mandelli, Davide; Olsen, Jogvan Magnus Haugaard; Rothlisberger, Ursula; Carloni, Paolo
err分享
err收藏
Enhanced-Sampling Simulations for the Estimation of Ligand Binding Kinetics: Current Status and Perspective
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2022-06-08
err42
errOAAI
errAhmad, Katya; Rizzi, Andrea; Capelli, Riccardo; Mandelli, Davide; Lyu, Wenping; Carloni, Paolo
err分享
err收藏
A modified nudged elastic band algorithm with adaptive spring lengths
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-17
err3
errOAAI
errMandelli, D.; Parrinello, M.
err分享
err收藏
Friction of physisorbed nanotubes: rolling or sliding?
errNANOSCALE
IF5.1
err2020-01-01
err2
errOAAI
errMandelli, Davide; Guerra, Roberto
err分享
err收藏
Mechanical and Tribological Properties of Layered Materials under High Pressure: Assessing the Importance of Many-Body Dispersion Effects
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-12-09
err50
errOAAI
errOuyang, Wengen; Azuri, Ido; Mandelli, Davide; Tkatchenko, Alexandre; Kronik, Leeor; Urbakh, Michael; Hod, Oded
err分享
err收藏
The Princess and the Nanoscale Pea: Long-Range Penetration of Surface Distortions into Layered Materials Stacks
errACS NANO
IF16
err2019-07-05
err32
PREAI
errMandelli, Davide; Ouyang, Wengen; Urbakh, Michael; Hod, Oded
err分享
err收藏
Emergent D6 symmetry in fully relaxed magic-angle twisted bilayer graphene
errPHYSICAL REVIEW B
IF3.7
err2018-12-18
err78
errOAAI
errAngeli, M.; Mandelli, D.; Valli, A.; Amaricci, A.; Capone, M.; Tosatti, E.; Fabrizio, M.
err分享
err收藏
Nanoserpents: Graphene Nanoribbon Motion on Two-Dimensional Hexagonal Materials
errNANO LETTERS
IF9.1
err2018-08-15
err122
errOAAI
errOuyang, Wengen; Mandelli, Davide; Urbakh, Michael; Hod, Oded
err分享
err收藏
Robust microscale superlubricity in graphite/hexagonal boron nitride layered heterojunctions
errNATURE MATERIALS
IF38.5
err2018-07-30
err356
PREAI
errSong, Yiming; Mandelli, Davide; Hod, Oded; Urbakh, Michael; Ma, Ming; Zheng, Quanshui
err分享
err收藏
Static friction boost in edge-driven incommensurate contacts
errPHYSICAL REVIEW MATERIALS
IF3.4
err2018-04-27
err10
errOAAI
errMandelli, Davide; Guerra, Roberto; Ouyang, Wengen; Urbakh, Michael; Vanossi, Andrea
err分享
err收藏
Sliding friction of graphene/hexagonal -boron nitride heterojunctions: a route to robust superlubricity
errSCIENTIFIC REPORTS
IF3.9
err2017-09-07
err127
errOAAI
errMandelli, D.; Leven, I.; Hod, O.; Urbakh, M.
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
M
Michele Parrinello
H 指数: 155 · 论文数: 924
E
Erio Tosatti
H 指数: 83 · 论文数: 846
L
Leeor Kronik
H 指数: 83 · 论文数: 503
A
Alexandre Tkatchenko
H 指数: 82 · 论文数: 513
U
Ursula Röthlisberger
H 指数: 81 · 论文数: 564
查看更多