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D

David van der Spoel

uppsala university

65H指数
248论文数
7.8W被引数
收录论文 92
发表时间
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Bayesian Modeling of Polarizable Water: Lessons for Force Field Development可极化水的贝叶斯建模：力场发展的经验
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-23
err0
errOAAI
errAlfred T. Nordman; Stefan Engblom; David van der Spoel
err分享
err收藏
LacI strikes a balance between stability and inducibilityLacI 在稳定性和诱导性之间取得平衡。
errNucleic Acids Research
IF13.1
err2026-04-08
err0
errOAAI
errJinwen Yuan; Malin Lüking; Spartak Zikrin; Beer Chakra Sen; Emil Marklund; David van der Spoel; David Fange; Johan Elf; null
err分享
err收藏
Beyond Partitioning: Using Force Field Science to Evaluate Electrostatics Models超越分区：利用力场科学评估静电模型
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-01
err0
errOAAI
errHosseini, A. Najla; Kriz, Kristian; van der Spoel, David
err分享
err收藏
Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases (vol 20, pg 2362, 2024)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errKriz, Kristian; van Maaren, Paul J.; van der Spoel, David
err分享
err收藏
Bayesian three-point water models贝叶斯三点水模型
errnpj Computational Materials
IF11.9
err2025-11-30
err0
errOAAI
errAlfred T. Nordman; Stefan Engblom; David van der Spoel
err分享
err收藏
Evolutionary machine learning of physics-based force fields in high-dimensional parameter-space基于物理的力场在高维参数空间中的进化机器学习
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errDavid van der Spoel; Julián Marrades; Kristian Kříž; A. Najla Hosseini; Alfred T. Nordman; João Paulo; Marie-Madeleine Walz; Paul J. van Maaren; Mohammad M. Ghahremanpour
err分享
err收藏
Quantitative evaluation of anharmonic bond potentials for molecular simulations
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errvan Maaren, Paul J.; van der Spoel, David
err分享
err收藏
Impact of Combination Rules, Level of Theory, and Potential Function on the Modeling of Gas- and Condensed-Phase Properties of Noble Gases
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-03-13
err4
errOAAI
errKriz, Kristian; van Maaren, Paul J.; van der Spoel, David
err分享
err收藏
Can molecular dynamics be used to simulate biomolecular recognition?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-09
err2
errOAAI
errLueking, Malin; van der Spoel, David; Elf, Johan; Tribello, Gareth A. A.
err分享
err收藏
An Imbalance in the Force: The Need for Standardized Benchmarks for Molecular Simulation力的不平衡: 需要标准化的分子模拟基准
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-01-11
err6
errOAAI
errKriz, Kristian; Schmidt, Lisa; Andersson, Alfred T.; Walz, Marie-Madeleine; van der Spoel, David
err分享
err收藏
Probing Phase Transitions in Organic Crystals Using Atomistic MD Simulations使用原子MD模拟探测有机晶体中的相变
errACS PHYSICAL CHEMISTRY AU
IF4.3
err2022-11-18
err9
errOAAI
errSchmidt, Lisa; van der Spoel, David; Walz, Marie-Madeleine
err分享
err收藏
The structure of CO2 and CH4 at the interface of a poly(urethane urea) oligomer model from the microscopic point of view
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-26
err4
PREAI
errAssis Silva, Flavia Cristina; Lourenco, Tuanan da Costa; van der Spoel, David; Aparicio, Santiago; dos Reis, Rodrigo Azevedo; Costa, Luciano T.
err分享
err收藏
Quantitative predictions from molecular simulations using explicit or implicit interactions使用显式或隐式相互作用从分子模拟中进行定量预测
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2021-06-22
err18
errOAAI
errvan der Spoel, David; Zhang, Jin; Zhang, Haiyang
err分享
err收藏
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-05-11
err67
errOAAI
errGapsys, Vytautas; Yildirim, Ahmet; Aldeghi, Matteo; Khalak, Yuriy; van der Spoel, David; de Groot, Bert L.
err分享
err收藏
Systematic design of biomolecular force fields
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2021-04-01
err39
errOAAI
errvan der Spoel, David
err分享
err收藏
Editorial overview: Theory and simulation and their new friends
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2021-04-01
err1
PREAI
errShehu, Amarda; Van der Spoel, David
err分享
err收藏
Classical molecular dynamics经典分子动力学
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-11
err35
errOAAI
errBrooks, Charles L., III; Case, David A.; Plimpton, Steve; Roux, Benoit; van der Spoel, David; Tajkhorshid, Emad
err分享
err收藏
Microscopic origins of conductivity in molten salts unraveled by computer simulations
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-01-27
err12
errOAAI
errWalz, Marie-Madeleine; van der Spoel, David
err分享
err收藏
A potential for molecular simulation of compounds with linear moieties
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-26
err8
errOAAI
errvan der Spoel, David; Henschel, Henning; van Maaren, Paul J.; Ghahremanpour, Mohammad M.; Costa, Luciano T.
err分享
err收藏
Propagation of uncertainty in physicochemical data to force field predictions
errPHYSICAL REVIEW RESEARCH
IF4.2
err2020-08-20
err4
errOAAI
errYildirim, Ahmet; Ghahremanpour, Mohammad Mehdi; van der Spoel, David
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
B
Benoı̂t Roux
H 指数: 128 · 论文数: 722
A
Alexander D. MacKerell
H 指数: 107 · 论文数: 767
D
David A. Case
H 指数: 107 · 论文数: 518
C
Charles L. Brooks
H 指数: 104 · 论文数: 675
H
Henry N. Chapman
H 指数: 89 · 论文数: 693
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