David Dotson - Publications, H-index & Citations

David Dotson

datryllic llc

16H指数

80论文数

3.6K被引数

收录论文 17

发表时间

Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE 利用OpenFE进行药物发现中结合自由能计算的大规模协作评估

Journal of Chemical Information and Modeling

IF5.3

2026-05-21

PREAI

Hannah M. Baumann; Joshua T. Horton; Michael M. Henry; Alyssa Travitz; Benjamin Ries; Richard J. Gowers; David W. H. Swenson; Iván Pulido; Dominic Rufa; David L. Dotson; Nupur Bansal; Joseph P. Bluck; Howard Broughton; Kira A. Campbell; Lili Cao; Benedikt Frieg; Vytautas Gapsys; Hendrik Göddeke; Marco Klähn; Sirish Kaushik Lakkaraju; Stephanie M. Linker; Thomas Löhr; Aniket Magarkar; Sergio Pérez-Conesa; Hans E. Purkey; Hayk Saribekyan; Jenke Scheen; Christina E. M. Schindler; Thomas Steinbrecher; Chaya D. Stern; Patricia Suriana; William C. Swope; Gary Tresadern; Lev Tsidilkovski; Binqing Wei; Alexander H. Williams; Yao Wu; Ivy Zhang; John D. Chodera; James R. B. Eastwood; David L. Mobley; Irfan Alibay

Tuning Potential Functions to Host-Guest Binding Data

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-12-26

PREAI

Setiadi, Jeffry; Boothroyd, Simon; Slochower, David R.; Dotson, David L.; Thompson, Matthew W.; Wagner, Jeffrey R.; Wang, Lee-Ping; Gilson, Michael K.

Conditions at the interface between the space elevator tether and its climber 空间电梯系绳与其登山者之间的界面条件

ACTA ASTRONAUTICA

IF3.4

2023-10-01

OAAI

Wright, Dennis H.; Bartoszek, Larry; Burke, A. J.; Dotson, David; El Chab, Hassan; Knapman, John; Lades, Martin; Nixon, Adrian; Phister Jr, Paul W.; Robinson, Peter

Optical genome mapping identifies a novel pediatric embryonal tumor with a ZNF532::NUTM1 fusion 光学基因组图谱通过ZNF532::NUTM1融合鉴定新型小儿胚胎性肿瘤

JOURNAL OF PATHOLOGY

IF5.2

2023-05-19

PREAI

Bornhorst, Miriam; Eze Jr, Augustine; Bhattacharya, Surajit; Putnam, Ethan; Almira-Suarez, M. Isabel; Rossi, Christopher; Kambhampati, Madhuri; Almalvez, Miguel; Barseghyan, Mariam; Del Risco, Nicole; Dotson, David; Turner, Joyce; Myseros, John S.; Vilain, Eric; Packer, Roger J.; Nazarian, Javad; Rood, Brian; Barseghyan, Hayk

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field 开放力场2.0.0的开发和基准测试: Sage小分子力场

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-05-11

OAAI

Boothroyd, Simon; Behara, Pavan Kumar; Madin, Owen C.; Hahn, David F.; Jang, Hyesu; Gapsys, Vytautas; Wagner, Jeffrey R.; Horton, Joshua T.; Dotson, David L.; Thompson, Matthew W.; Maat, Jessica; Gokey, Trevor; Wang, Lee-Ping; Cole, Daniel J.; Gilson, Michael K.; Chodera, John D.; Bayly, Christopher I.; Shirts, Michael R.; Mobley, David L.

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-11-26

OAAI

D'Amore, Lorenzo; Hahn, David F.; Dotson, David L.; Horton, Joshua T.; Anwar, Jamshed; Craig, Ian; Fox, Thomas; Gobbi, Alberto; Lakkaraju, Sirish Kaushik; Lucas, Xavier; Meier, Katharina; Mobley, David L.; Narayanan, Arjun; Schindler, Christina E. M.; Swope, William C.; in't Veld, Pieter J.; Wagner, Jeffrey; Xue, Bai; Tresadern, Gary

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-11-09

OAAI

Horton, Joshua T.; Boothroyd, Simon; Wagner, Jeffrey; Mitchell, Joshua A.; Gokey, Trevor; Dotson, David L.; Behara, Pavan Kumar; Ramaswamy, Venkata Krishnan; Mackey, Mark; Chodera, John D.; Anwar, Jamshed; Mobley, David L.; Cole, Daniel J.

Climate action and growing electricity demand: Meeting both challenges in the 21st century with space-based solar power delivered by space elevator

ACTA ASTRONAUTICA

IF3.4

2022-09-01

PREAI

Dotson, David L.; Eddy, Jerry; Swan, Peter

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs 量子化学通用驱动程序和数据库 (QCDB) 和量子化学引擎 (QCEngine): 计算化学程序之间的自动化和互操作性

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-11-22

OAAI

Smith, Daniel G. A.; Lolinco, Annabelle T.; Glick, Zachary L.; Lee, Jiyoung; Alenaizan, Asem; Barnes, Taylor A.; Borca, Carlos H.; Di Remigio, Roberto; Dotson, David L.; Ehlert, Sebastian; Heide, Alexander G.; Herbst, Michael F.; Hermann, Jan; Hicks, Colton B.; Horton, Joshua T.; Hurtado, Adrian G.; Kraus, Peter; Kruse, Holger; Lee, Sebastian J. R.; Misiewicz, Jonathon P.; Naden, Levi N.; Ramezanghorbani, Farhad; Scheurer, Maximilian; Schriber, Jeffrey B.; Simmonett, Andrew C.; Steinmetzer, Johannes; Wagner, Jeffrey R.; Ward, Logan; Welborn, Matthew; Altarawy, Doaa; Anwar, Jamshed; Chodera, John D.; Dreuw, Andreas; Kulik, Heather J.; Liu, Fang; Martinez, Todd J.; Matthews, Devin A.; Schaefer, Henry F., III; Sponer, Jiri; Turney, Justin M.; Wang, Lee-Ping; De Silva, Nuwan; King, Rollin A.; Stanton, John F.; Gordon, Mark S.; Windus, Theresa L.; Sherrill, C. David; Burns, Lori A.

Molecular Mechanism of Electrogenic Sodium/Proton Antiport

BIOPHYSICAL JOURNAL

IF3.1

2017-02-01

OAAI

Beckstein, Oliver; Dotson, David L.; Coincon, Mathieu; Huang, Yandong; Lee, Chiara; Uzdavinys, Povilas; Nji, Emmanuel; Yashiro, Shoko; Chen, Wei; Cameron, Alexander D.; Shen, Jana; Drew, David

Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA

NATURE COMMUNICATIONS

IF15.7

2016-10-06

OAAI

Huang, Yandong; Chen, Wei; Dotson, David L.; Beckstein, Oliver; Shen, Jana

Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters

NATURE STRUCTURAL & MOLECULAR BIOLOGY

IF10.1

2016-02-01

OAAI

Coincon, Mathieu; Uzdavinys, Povilas; Nji, Emmanuel; Dotson, David L.; Winkelmann, Iven; Abdul-Hussein, Saba; Cameron, Alexander D.; Beckstein, Oliver; Drew, David

High-Resolution Structures and Molecular Dynamics Simulations of Thermus Thermophilus NapA Reveal a Large-Scale Conformational Change for Ion Translocation

BIOPHYSICAL JOURNAL

IF3.1

2016-02-01

OAAI

Dotson, David L.; Coincon, Mathieu; Uzdavinys, Povilas; Nji, Emmanuel; Winkelmann, Iven; Abdul-Hussein, Saba; Cameron, Alexander D.; Drew, David; Beckstein, Oliver

Recent Structures and Molecular Dynamics Simulations Offer New Perspective on Na+/H+ Antiporters

BIOPHYSICAL JOURNAL

IF3.1

2015-01-01

OAAI

Dotson, David L.; Lee, Chiara; Yashiro, Shoko; Uzdavinys, Povilas; von Ballmoos, Christoph; Drew, David; Cameron, Alexander D.; Beckstein, Oliver

Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights

JOURNAL OF GENERAL PHYSIOLOGY

IF2.9

2014-11-24

OAAI

Lee, Chiara; Yashiro, Shoko; Dotson, David L.; Uzdavinys, Povilas; Iwata, So; Sansom, Mark S. P.; von Ballmoos, Christoph; Beckstein, Oliver; Drew, David; Cameron, Alexander D.

Mechanism of Sodium/Proton Antiport in NhaA

BIOPHYSICAL JOURNAL

IF3.1

2014-01-01

PREAI

Beckstein, Oliver; Dotson, David L.; Lee, Chiara N.; Drew, David; Cameron, Alexander D.

Investigating the Conformational Dynamics of DNA with Lesions through Fluorescence-Based Technniques and Computer Simulations

BIOPHYSICAL JOURNAL

IF3.1

2014-01-01

OAAI

Stennett, Elana M. S.; Dotson, David L.; Denning, Elizabeth J.; Beckstein, Oliver; Levitus, Marcia

研究方向