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J

Jean‐Philip Piquemal

medical university of warsaw

59H指数
345论文数
1.6W被引数
收录论文 129
发表时间
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Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models Using Multiple Time Steps and Distillation
errThe Journal of Physical Chemistry Letters
IF0
err2026-01-21
err0
PREAI
errCôme Cattin; Thomas Plé; Olivier Adjoua; Nicolaï Gouraud; Louis Lagardère; Jean-Philip Piquemal
err分享
err收藏
Polarizable Models for Selected Endocrine Disrupting Chemicals and Their Hosts可极化模型用于选定的内分泌干扰化学物质及其宿主
errJournal of Computational Biophysics and Chemistry
IF2.3
err2025-11-01
err0
PREAI
errMazurek, Anna; Thirion, Valentin; Szeleszczuk, Lukasz; Piquemal, Jean-Philip; Clavaguera, Carine; Simonson, Thomas
err分享
err收藏
Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors采用最先进的方法使用小分子靶向RNA，能够获得核糖开关抑制剂的预测性极高的亲和力。
errCommunications Biology
IF5.1
err2025-10-01
err0
errOAAI
errNarjes Ansari; Chengwen Liu; Florent Hédin; Jérôme Hénin; Jay W. Ponder; Pengyu Ren; Jean-Philip Piquemal; Louis Lagardère; Krystel El Hage
err分享
err收藏
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy CalculationsLambda-ABF-OPES：在拟化自由能计算中实现更快的收敛与高精度
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-05-01
err0
PREAI
errAnsari, Narjes; Jing, Zhifeng Francis; Gagelin, Antoine; Hedin, Florent; Aviat, Felix; Henin, Jerome; Piquemal, Jean-Philip
err分享
err收藏
Velocity Jumps for Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
errOAAI
errGouraud, Nicolai; Lagardere, Louis; Adjoua, Olivier; Ple, Thomas; Monmarche, Pierre; Piquemal, Jean-Philip
err分享
err收藏
Non-iterative disentangled unitary coupled-cluster based on lie-algebraic structure基于李代数结构的非迭代解耦幺正耦合簇方法
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2025-02-21
err0
errOAAI
errHaidar, Mohammad; Adjoua, Olivier; Badreddine, Siwar; Peruzzo, Alberto; Piquemal, Jean-Philip
err分享
err收藏
Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins
errCOMMUNICATIONS BIOLOGY
IF5.1
err2024-12-05
err0
PREAI
errXu, Zeren; Schahl, Adrien; Jolivet, Marie-Dominique; Legrand, Anthony; Grelard, Axelle; Berbon, Melanie; Morvan, Estelle; Lagardere, Louis; Piquemal, Jean-Philip; Loquet, Antoine; Germain, Veronique; Chavent, Matthieu; Mongrand, Sebastien; Habenstein, Birgit
err分享
err收藏
High-Resolution Molecular-Dynamics Simulations of the Pyruvate Kinase Muscle Isoform 1 and 2 (PKM1/2)高分辨率分子动力学模拟研究丙酮酸激酶肌肉同工酶1和2 (PKM1/2)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-11-30
err0
errOAAI
errDelobelle, Quentin; Inizan, Theo Jaffrelot; Adjoua, Olivier; Lagardere, Louis; Celerse, Frederic; Marechal, Vincent; Piquemal, Jean-Philip
err分享
err收藏
Shortcut to chemically accurate quantum computing via density-based basis-set correction
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-11-18
err1
errOAAI
errTraore, Diata; Adjoua, Olivier; Feniou, Cesar; Lygatsika, Ioanna-Maria; Maday, Yvon; Posenitskiy, Evgeny; Hammernik, Kerstin; Peruzzo, Alberto; Toulouse, Julien; Giner, Emmanuel; Piquemal, Jean-Philip
err分享
err收藏
Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery
errPHYSICAL REVIEW RESEARCH
IF4.2
err2024-10-04
err0
errOAAI
errD'Arcangelo, Mauro; Henry, Louis-Paul; Henriet, Loic; Loco, Daniele; Gouraud, Nicolai; Angebault, Stanislas; Sueiro, Jules; Foret, Jerome; Monmarche, Pierre; Piquemal, Jean-Philip
err分享
err收藏
FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-25
err3
errOAAI
errPle, Thomas; Adjoua, Olivier; Lagardere, Louis; Piquemal, Jean-Philip
err分享
err收藏
Polylogarithmic-depth controlled-NOT gates without ancilla qubits
errNATURE COMMUNICATIONS
IF15.7
err2024-07-13
err1
errOAAI
errClaudon, Baptiste; Zylberman, Julien; Feniou, Cesar; Debbasch, Fabrice; Peruzzo, Alberto; Piquemal, Jean-Philip
err分享
err收藏
Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-03
err0
errOAAI
errGogal, Rose A.; Nessler, Aaron J.; Thiel, Andrew C.; Bernabe, Hernan V.; Corrigan Grove, Rae A.; Cousineau, Leah M.; Litman, Jacob M.; Miller, Jacob M.; Qi, Guowei; Speranza, Matthew J.; Tollefson, Mallory R.; Fenn, Timothy D.; Michaelson, Jacob J.; Okada, Okimasa; Piquemal, Jean-Philip; Ponder, Jay W.; Shen, Jana; Smith, Richard J. H.; Yang, Wei; Ren, Pengyu; Schnieders, Michael J.
err分享
err收藏
Advancing Force Fields Parameterization: A Directed Graph Attention Networks Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-14
err3
PREAI
errChen, Gong; Inizan, Theo Jaffrelot; Ple, Thomas; Lagardere, Louis; Piquemal, Jean-Philip; Maday, Yvon
err分享
err收藏
Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-28
err6
errOAAI
errLagardere, Louis; Maurin, Lise; Adjoua, Olivier; El Hage, Krystel; Monmarche, Pierre; Piquemal, Jean-Philip; Henin, Jerome
err分享
err收藏
Unveiling the Full Dynamical and Reactivity Profiles of Acetylcholinesterase: A Comprehensive All-Atom Investigation
errACS CATALYSIS
IF13.1
err2024-01-19
err2
PREAI
errCelerse, Frederic; Lagardere, Louis; Bouchibti, Yasmine; Nachon, Florian; Verdier, Laurent; Piquemal, Jean-Philip; Derat, Etienne
err分享
err收藏
ReaxFF Simulations of Self-Assembled Monolayers on Silver Surfaces and Nanocrystals
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-01-10
err4
PREAI
errLahouari, A.; Piquemal, J. -p.; Richardi, J.
err分享
err收藏
Water-glycan interactions drive the SARS-CoV-2 spike dynamics: insights into glycan-gate control and camouflage mechanisms
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errBlazhynska, Marharyta; Lagardere, Louis; Liu, Chengwen; Adjoua, Olivier; Ren, Pengyu; Piquemal, Jean-Philip
err分享
err收藏
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields可极化和不可极化力场中的合作和挫折效应 (或缺乏)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-27
err3
PREAI
errNochebuena, Jorge; Piquemal, Jean-Philip; Liu, Shubin; Cisneros, G. Andres
err分享
err收藏
Smooth particle mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-20
err0
errOAAI
errPoier, Pier Paolo; Lagardere, Louis; Piquemal, Jean-Philip
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
E
Ettore Appella
H 指数: 131 · 论文数: 679
B
Benoı̂t Roux
H 指数: 128 · 论文数: 722
R
Richard J. Smith
H 指数: 118 · 论文数: 1.5K
A
Alexander D. MacKerell
H 指数: 107 · 论文数: 767
O
Oleg Borodin
H 指数: 102 · 论文数: 440
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