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Harder, Edward
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1

The maximal and current accuracy of rigorous protein-ligand..:

Ross, Gregory A. ; Lu, Chao ; Scarabelli, Guido...
Communications Chemistry.  6 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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2

Reliable and Accurate Prediction of Single-Residue pKa Valu..:

Coskun, Dilek ; Chen, Wei ; Clark, Anthony J....
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7193-7204 , 2022
Link: https://doi.org/10.1021/..
 
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3

Transferable Neural Network Potential Energy Surfaces for C..:

Jacobson, Leif D. ; Stevenson, James M. ; Ramezanghorbani, Farhad...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2354-2366 , 2022
Link: https://doi.org/10.1021/..
 
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4

OPLS4: Improving Force Field Accuracy on Challenging Regime..:

Lu, Chao ; Wu, Chuanjie ; Ghoreishi, Delaram...
Journal of Chemical Theory and Computation.  17 (2021)  7 - p. 4291-4300 , 2021
Link: https://doi.org/10.1021/..
 
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5

Enhancing Water Sampling in Free Energy Calculations with G..:

Ross, Gregory A. ; Russell, Ellery ; Deng, Yuqing...
Journal of Chemical Theory and Computation.  16 (2020)  10 - p. 6061-6076 , 2020
Link: https://doi.org/10.1021/..
 
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6

Advancing Free-Energy Calculations of Metalloenzymes in Dru..:

Dajnowicz, Steven ; Ghoreishi, Delaram ; Modugula, Kalyan...
Journal of Chemical Theory and Computation.  16 (2020)  11 - p. 6926-6937 , 2020
Link: https://doi.org/10.1021/..
 
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7

OPLS3e: Extending Force Field Coverage for Drug-Like Small ..:

Roos, Katarina ; Wu, Chuanjie ; Damm, Wolfgang...
Journal of Chemical Theory and Computation.  15 (2019)  3 - p. 1863-1874 , 2019
Link: https://doi.org/10.1021/..
 
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8

Toward Atomistic Modeling of Irreversible Covalent Inhibito..:

Yu, Haoyu S. ; Gao, Cen ; Lupyan, Dmitry...
Journal of Chemical Information and Modeling.  59 (2019)  9 - p. 3955-3967 , 2019
Link: https://doi.org/10.1021/..
 
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9

Polarizable Force Field for Molecular Ions Based on the Cla..:

Lin, Fang-Yu ; Lopes, Pedro E. M. ; Harder, Edward..
Journal of Chemical Information and Modeling.  58 (2018)  5 - p. 993-1004 , 2018
Link: https://doi.org/10.1021/..
 
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10

High Energy Density in Azobenzene-based Materials for Photo..:

Jeong, Seung Pyo ; Renna, Lawrence A. ; Boyle, Connor J....
Scientific Reports.  7 (2017)  1 - p. , 2017
Link: https://doi.org/10.1038/..
 
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11

Advancing Drug Discovery through Enhanced Free Energy Calcu..:

Abel, Robert ; Wang, Lingle ; Harder, Edward D...
Accounts of Chemical Research.  50 (2017)  7 - p. 1625-1632 , 2017
Link: https://doi.org/10.1021/..
 
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12

How To Deal with Multiple Binding Poses in Alchemical Relat..:

Kaus, Joseph W. ; Harder, Edward ; Lin, Teng...
Journal of Chemical Theory and Computation.  11 (2015)  6 - p. 2670-2679 , 2015
Link: https://doi.org/10.1021/..
 
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13

OPLS3: A Force Field Providing Broad Coverage of Drug-like ..:

Harder, Edward ; Damm, Wolfgang ; Maple, Jon...
Journal of Chemical Theory and Computation.  12 (2015)  1 - p. 281-296 , 2015
Link: https://doi.org/10.1021/..
 
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14

Docking Covalent Inhibitors: A Parameter Free Approach To P..:

Zhu, Kai ; Borrelli, Kenneth W. ; Greenwood, Jeremy R....
Journal of Chemical Information and Modeling.  54 (2014)  7 - p. 1932-1940 , 2014
Link: https://doi.org/10.1021/..
 
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15

A Polarizable Force Field of Dipalmitoylphosphatidylcholine..:

Chowdhary, Janamejaya ; Harder, Edward ; Lopes, Pedro E. M....
The Journal of Physical Chemistry B.  117 (2013)  31 - p. 9142-9160 , 2013
Link: https://doi.org/10.1021/..
 
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