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P

Piotr Cieplak

sbp medical discovery institute

52H指数
166论文数
5.0W被引数
收录论文 70
发表时间
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Refinement of Atomic Polarizabilities for a Polarizable Gaussian Multipole Force Field with Simultaneous Considerations of Both Molecular Polarizability Tensors and In-Solution Electrostatic Potentials
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-27
err0
errOAAI
errDuan, Yong; Wang, Junmei; Cieplak, Piotr; Luo, Ray
err分享
err收藏
CaXML: Chemistry-informed machine learning explains mutual changes between protein conformations and calcium ions in calcium-binding proteins using structural and topological featuresCaXML：基于化学信息的机器学习利用结构和拓扑特征解释钙结合蛋白中蛋白质构象与钙离子之间的相互变化
errPROTEIN SCIENCE
IF5.2
err2025-01-25
err0
errOAAI
errZhang, Pengzhi; Nde, Jules; Eliaz, Yossi; Jennings, Nathaniel; Cieplak, Piotr; Cheung, Margaret S.
err分享
err收藏
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-19
err3
errOAAI
errDuan, Yong; Niu, Taoyu; Wang, Junmei; Cieplak, Piotr; Luo, Ray
err分享
err收藏
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-23
err2
PREAI
errZhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Dual function of Zika virus NS2B-NS3 protease
errPLOS PATHOGENS
IF4.9
err2023-11-27
err8
errOAAI
errShiryaev, Sergey A.; Cieplak, Piotr; Cheltsov, Anton; Liddington, Robert C.; Terskikh, Alexey V.
err分享
err收藏
Streamlining and Optimizing Strategies of Electrostatic Parameterization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-07
err5
errOAAI
errZhu, Qiang; Wu, Yongxian; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-13
err6
errOAAI
errHuang, Zhen; Zhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray; Wei, Haixin
err分享
err收藏
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-25
err8
errOAAI
errZhao, Shiji; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-12
err11
errOAAI
errZhao, Shiji; Wei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-10
err18
errOAAI
errZhao, Shiji; Wei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-03-17
err15
errOAAI
errWei, Haixin; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
Toxoplasma gondii serine hydrolases regulate parasite lipid mobilization during growth and replication within the host
errCELL CHEMICAL BIOLOGY
IF7.2
err2021-10-01
err5
errOAAI
errOnguka, Ouma; Babin, Brett M.; Lakemeyer, Markus; Foe, Ian T.; Amara, Neri; Terrell, Stephanie M.; Lum, Kenneth M.; Cieplak, Piotr; Niphakis, Micah J.; Long, Jonathan Z.; Bogyo, Matthew
err分享
err收藏
Determining the atomic charge of calcium ion requires the information of its coordination geometry in an EF-hand motif
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-22
err9
errOAAI
errZhang, Pengzhi; Han, Jaebeom; Cieplak, Piotr; Cheung, Margaret. S.
err分享
err收藏
S-nitrosylated TDP-43 triggers aggregation, cell-to-cell spread, and neurotoxicity in hiPSCs and in vivo models of ALS/FTDS-亚硝基化TDP-43触发hipsc和ALS/FTD体内模型的聚集，细胞间扩散和神经毒性
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2021-03-10
err27
errOAAI
errPirie, Elaine; Oh, Chang-Ki; Zhang, Xu; Han, Xuemei; Cieplak, Piotr; Scott, Henry R.; Deal, Amanda K.; Ghatak, Swagata; Martinez, Fernando J.; Yeo, Gene W.; Yates, John R.; Nakamura, Tomohiro; Lipton, Stuart A.
err分享
err收藏
Epitope-resolved profiling of the SARS-CoV-2 antibody response identifies cross-reactivity with endemic human coronaviruses
errCELL REPORTS MEDICINE
IF10.6
err2021-01-01
err133
errOAAI
errLadner, Jason T.; Henson, Sierra N.; Boyle, Annalee S.; Engelbrektson, Anna L.; Fink, Zane W.; Rahee, Fatima; D'ambrozio, Jonathan; Schaecher, Kurt E.; Stone, Mars; Dong, Wenjuan; Dadwal, Sanjeet; Yu, Jianhua; Caligiuri, Michael A.; Cieplak, Piotr; Bjoras, Magnar; Fenstad, Mona H.; Nordbo, Svein A.; Kainov, Denis E.; Muranaka, Norihito; Chee, Mark S.; Shiryaev, Sergey A.; Altin, John A.
err分享
err收藏
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-18
err25
errOAAI
errWei, Haixin; Qi, Ruxi; Wang, Junmei; Cieplak, Piotr; Duan, Yong; Luo, Ray
err分享
err收藏
How the gatekeeper helix of the thioesterase domain of fatty acid synthase controls substrate recognition and initiation of cleavage of the proper substrate
errCANCER RESEARCH
IF16.6
err2020-08-15
err0
PREAI
errFromm, Joseph; Teriete, Peter; Cieplak, Piotr; Misson, Laetitia; Burkart, Michael; Cosford, Nicholas
err分享
err收藏
The Antimalarial Natural Product Salinipostin A Identifies Essential α/β Serine Hydrolases Involved in Lipid Metabolism in P. falciparum Parasites
errCELL CHEMICAL BIOLOGY
IF7.2
err2020-02-01
err52
errOAAI
errYoo, Euna; Schulze, Christopher J.; Stokes, Barbara H.; Onguka, Ouma; Yeo, Tomas; Mok, Sachel; Gnadig, Nina F.; Zhou, Yani; Kurita, Kenji; Foe, Ian T.; Terrell, Stephanie M.; Boucher, Michael J.; Cieplak, Piotr; Kumpornsin, Krittikorn; Lee, Marcus C. S.; Linington, Roger G.; Long, Jonathan Z.; Uhlemann, Anne-Catrin; Weerapana, Eranthie; Fidock, David A.; Bogyo, Matthew
err分享
err收藏
Interactions between motor domains in kinesin-14 Ncd - a molecular dynamics study
errBIOCHEMICAL JOURNAL
IF4.3
err2019-09-10
err0
PREAI
errLudwiczak, Jan; Szczesna, Ewa; da Silva Neto, Antonio Marinho; Cieplak, Piotr; Kasprzak, Andrzej A.; Jarmula, Adam
err分享
err收藏
Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-01-15
err30
errOAAI
errWang, Junmei; Cieplak, Piotr; Luo, Ray; Duan, Yong
err分享
err收藏

研究方向

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