Jing Huang - RankMe

15 papers Journal 15

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery. J. Chem. Inf. Model. Runtong Qian, Jing Xue, You Xu, Jing Huang
2024	J	`jnl`	Can Protein Structure Prediction Methods Capture Alternative Conformations of Membrane Transporters? J. Chem. Inf. Model. Tengyu Xie, Jing Huang
2023	J	`jnl`	A Simple Way to Incorporate Target Structural Information in Molecular Generative Models. J. Chem. Inf. Model. Wenyi Zhang, Kaiyue Zhang, Jing Huang
2023	J	`jnl`	Constant advance replicas method for locating minimum energy paths and transition states. J. Comput. Chem. Zilin Song, Ye Ding, Jing Huang
2023	J	`jnl`	OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR Peter K. Eastman, Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio, Anton Gorenko, Michael M. Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A. Mitchell, Vijay S. Pande, João P. G. L. M. Rodrigues, Jaime Rodríguez-Guerra, Andrew C. Simmonett, Jason M. Swails, Ivy Zhang, John D. Chodera, Gianni De Fabritiis, Thomas E. Markland
2022	J	`jnl`	CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. J. Comput. Chem. Abhishek A. Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr., Wonpil Im
2022	J	`jnl`	EViS: An Enhanced Virtual Screening Approach Based on Pocket-Ligand Similarity. J. Chem. Inf. Model. Wenyi Zhang, Jing Huang
2020	J	`jnl`	Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields. J. Comput. Aided Mol. Des. Ye Ding, You Xu, Cheng Qian, Jinfeng Chen, Jian Zhu, Houhou Huang, Yi Shi, Jing Huang
2018	J	`jnl`	An explicit-solvent hybrid QM and MM approach for predicting pKa of small molecules in SAMPL6 challenge. J. Comput. Aided Mol. Des. Samarjeet Prasad, Jing Huang, Qiao Zeng, Bernard R. Brooks
2018	J	`jnl`	Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks. J. Comput. Chem. Jing Huang, Justin A. Lemkul, Peter K. Eastman, Alexander D. MacKerell Jr.
2017	J	`jnl`	Absolute binding free energies for octa-acids and guests in SAMPL5 - Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge. J. Comput. Aided Mol. Des. Florentina Tofoleanu, Juyong Lee, Frank C. Pickard IV, Gerhard König, Jing Huang, Minkyung Baek, Chaok Seok, Bernard R. Brooks
2017	J	`jnl`	Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge. J. Comput. Aided Mol. Des. Juyong Lee, Florentina Tofoleanu, Frank C. Pickard IV, Gerhard König, Jing Huang, Ana Damjanovic, Minkyung Baek, Chaok Seok, Bernard R. Brooks
2016	J	`jnl`	Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. J. Comput. Aided Mol. Des. Gerhard König, Frank C. Pickard IV, Jing Huang, Andrew C. Simmonett, Florentina Tofoleanu, Juyong Lee, Pavlo O. Dral, Samarjeet Prasad, Michael R. Jones, Yihan Shao, Walter Thiel, Bernard R. Brooks
2016	J	`jnl`	DIRECT-ID: An automated method to identify and quantify conformational variations - application to β J. Comput. Chem. Sirish Kaushik Lakkaraju, Justin A. Lemkul, Jing Huang, Alexander D. MacKerell Jr.
2013	J	`jnl`	CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data. J. Comput. Chem. Jing Huang, Alexander D. MacKerell Jr.