Edward D Harder (Edward Harder)

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 8

Top Topics

Drosophila Melanogaster

Molecular Dynamics

Protein Protein

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

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, Michael 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 Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas 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, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Dilek Coskun, Wei Chen, Anthony J Clark, Chao Lu, Edward D Harder, Lingle Wang, Richard A Friesner, Edward B Miller
Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations. Journal of chemical theory and computation (2022)
Leif D Jacobson, James M Stevenson, Farhad Ramezanghorbani, Delaram Ghoreishi, Karl Leswing, Edward D Harder, Robert Abel
Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions. Journal of chemical theory and computation 18 (4) (2022)
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
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space. Journal of chemical theory and computation 17 (7) (2021)
Gregory A Ross, Ellery Russell, Yuqing Deng, Chao Lu, Edward D Harder, Robert Abel, Lingle Wang
Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo. Journal of chemical theory and computation 16 (10) (2020)
Steven Dajnowicz, Delaram Ghoreishi, Kalyan Modugula, Wolfgang Damm, Edward D Harder, Robert Abel, Lingle Wang, Haoyu S Yu
Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials. Journal of chemical theory and computation 16 (11) (2020)
Katarina Roos, Chuanjie Wu, Wolfgang Damm, Mark Reboul, James M Stevenson, Chao Lu, Markus K Dahlgren, Sayan Mondal, Wei Chen, Lingle Wang, Robert Abel, Richard A Friesner, Edward D Harder
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. Journal of chemical theory and computation 15 (3) (2019)
Haoyu S Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif Jacobson, Edward D Harder, Robert Abel, Lingle Wang
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. Journal of chemical information and modeling 59 (9) (2019)