Edward Harder - Center for Integrative Science, University of Chicago

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论文共 44 篇作者统计合作学者相似作者

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Accurate Physics-Based Prediction of Binding Affinities of RNA and DNA Targeting Ligands

Ara M. Abramyan,Anna Bochicchio,Chuanjie Wu,Wolfgang Damm,David R. Langley,Devleena Shivakumar,Dmitry Lupyan,Lingle Wang,Edward Harder, Eliud O. Oloo

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2025)

引用0浏览0WOSEI引用

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

Wonmuk Hwang, Steven L. Austin,Arnaud Blondel,Eric D. Boittier,Stefan Boresch,Matthias Buck,Joshua Buckner,Amedeo Caflisch, Hao-Ting Chang,Xi Cheng,Yeol Kyo Choi,Jhih-Wei Chu, Michael F. Crowley,Qiang Cui,Ana Damjanovic, Yuqing Deng,Mike Devereux,Xinqiang Ding,Michael F. Feig,Jiali Gao, David R. Glowacki,James E. Gonzales, Mehdi Bagerhi Hamaneh,Edward D. Harder,Ryan L. Hayes, Jing Huang,Yandong Huang,Phillip S. Hudson,Wonpil Im, Shahidul M. Islam, Wei Jiang, Michael R. Jones,Silvan Kaser,Fiona L. Kearns,Nathan R. Kern, Jeffery B. Klauda,Themis Lazaridis, Jinhyuk Lee,Justin A. Lemkul,Xiaorong Liu, Yun Luo,Alexander D. MacKerell Jr,Dan T. Major,Markus Meuwly,Kwangho Nam,Lennart Nilsson,Victor Ovchinnikov, Emanuele Paci,Soohyung Park,Richard W. Pastor,Amanda R. Pittman,Carol Beth Post,Samarjeet Prasad,Jingzhi Pu,Yifei Qi,Thenmalarchelvi Rathinavelan,Daniel R. Roe,Benoit Roux,Christopher N. Rowley,Jana Shen,Andrew C. Simmonett,Alexander J. Sodt,Kai Topfer,Meenu Upadhyay,Arjan van der Vaart,Luis Itza Vazquez-Salazar,Richard M. Venable,Luke C. Warrensford,H. Lee Woodcock,Yujin Wu,Charles L. Brooks, Bernard R. Brooks III,Martin Karplus

JOURNAL OF PHYSICAL CHEMISTRY B（2024）

引用7浏览0WOS引用

A Method for Treating Significant Conformational Changes in Alchemical Free Energy Simulations of Protein-Ligand Binding

Junzhuo Liao,Alina P. Sergeeva,Edward D. Harder,Lingle Wang,Jared M. Sampson,Barry Honig,Richard A. Friesner

JOURNAL OF CHEMICAL THEORY AND COMPUTATION（2024）

引用0浏览0WOS引用

OPLS5: Addition of Polarizability and Improved Treatment of Metals

Wolfgang Damm,Steven Dajnowicz,Delaram Ghoreishi, Yalun Yu, Karthik Ganeshan, Owen Madin, Benjamin Rudshteyn, Rui Hu, Meng Wu, Yi Shang, Steven Albanese, Yefen Zou, Min Ye, Zachary Johnson, Michael Trzoss, Salma Rafi,Kanishk Kapilashrami,Noureldin Saleh,Phani Ghanakota, Yan Zhang, Jared Sampson, Wei Chen,Lingle Wang,Markus Dahlgren,Ellery Russell, Abba Leffler,Robert Abel,Richard Friesner,Edward Harder

crossref（2024）

引用2浏览0引用

The Maximal and Current Accuracy of Rigorous Protein-Ligand Binding Free Energy Calculations

Gregory A Ross,Chao Lu,Guido Scarabelli,Steven K. Albanese,Evelyne Houang,Robert Abel,Edward D. Harder,Lingle Wang

openalex（2023）

引用0浏览0引用

The Maximal and Current Accuracy of Rigorous Protein-Ligand Binding Free Energy Calculations

Gregory A. Ross,Chao Lu,Guido Scarabelli,Steven K. Albanese,Evelyne Houang,Robert Abel,Edward D. Harder,Lingle Wang

Communications Chemistryno. 1 (2023)

引用6浏览0WOSNATURE引用

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

Leif D. Jacobson,James M. Stevenson,Farhad Ramezanghorbani,Delaram Ghoreishi,Karl Leswing,Edward D. Harder,Robert Abel

Journal of Chemical Theory and Computation（2022）

引用25浏览0WOS引用

Reliable and Accurate Prediction of Single-Residue Pka Values Through Free Energy Perturbation Calculations

Dilek Coskun,Wei Chen,Anthony J. Clark,Chao Lu,Edward D. Harder,Lingle Wang,Richard A. Friesner,Edward B. Miller

Journal of Chemical Theory and Computation（2022）

引用13浏览0WOS引用

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Chao Lu,Chuanjie Wu,Delaram Ghoreishi,Wei Chen,Lingle Wang,Wolfgang Damm,Gregory A. Ross,Markus K. Dahlgren,Ellery Russell,Christopher D. Von Bargen,Robert Abel,Richard A. Friesner,Edward D. Harder

Journal of chemical theory and computation（2021）

引用871浏览0WOS引用

871

Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery Via Implementation of LFMM Potentials

Steven Dajnowicz,Delaram Ghoreishi,Kalyan Modugula,Wolfgang Damm,Edward D. Harder,Robert Abel,Lingle Wang,Haoyu S. Yu

Journal of Chemical Theory and Computation（2020）

引用10浏览0WOS引用

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