Wonpil Im

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 129

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

The journal of physical chemistry. B

Nature communications

Lehigh University

Weill Cornell Medical College (PHD)

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

Affiliation History

Lehigh University Aug 01 2016

United States

Professor :: Biological Scineces, Chemistry, and Bioengineering

University of Kansas Aug 01 2015 - Jul 31 2016

United States

Professor :: Molecular Biosciences and Center for Computational Biology

University of Kansas Aug 01 2011 - Jul 31 2015

United States

Associate Professor :: Molecular Biosciences and Center for Computational Biology

University of Kansas Aug 01 2005 - Jul 31 2011

United States

Assistant Professor :: Molecular Biosciences and Center for Computational Biology

Education History

Weill Cornell Medical College Feb 15 1997 - May 15 2002

United States

PHD :: Biochemistry

Hanyang University Mar 01 1994 - Feb 15 1996

South Korea

MSC :: Chemistry

Hanyang University Mar 01 1990 - Feb 15 1994

South Korea

BSC :: Chemistry

Publications

Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Han Zhang, Wonpil Im
Ligand Binding Affinity Prediction for Membrane Proteins with Alchemical Free Energy Calculation Methods. Journal of chemical information and modeling 64 (14) (2024)
Jacob R Gissinger, Ilia Nikiforov, Yaser Afshar, Brendon Waters, Moon-Ki Choi, Daniel S Karls, Alexander Stukowski, Wonpil Im, Hendrik Heinz, Axel Kohlmeyer, Ellad B Tadmor
Type Label Framework for Bonded Force Fields in LAMMPS. The journal of physical chemistry. B (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Stephen E Gee, Kerney Jebrell Glover, Nathan J Wittenberg, Wonpil Im
CHARMM-GUI Membrane Builder for Lipid Droplet Modeling and Simulation. ChemPlusChem 89 (8) (2024)
Nicholas J Wright, Feng Zhang, Yang Suo, Lingyang Kong, Ying Yin, Justin G Fedor, Kedar Sharma, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Antiviral drug recognition and elevator-type transport motions of CNT3. Nature chemical biology 20 (9) (2024)
Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim, Kwangho Nam, Wonpil Im
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods. Journal of chemical theory and computation 20 (12) (2024)
Nicholas J Wright, Feng Zhang, Yang Suo, Lingyang Kong, Ying Yin, Justin G Fedor, Kedar Sharma, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Antiviral drug recognition and elevator-type transport motions of CNT3. Nature chemical biology 20 (9) (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Multicomponent Assembler for modeling and simulation of complex multicomponent systems. Nature communications 15 (1) (2024)
Ying Yin, Cheon-Gyu Park, Feng Zhang, Justin G Fedor, Shasha Feng, Yang Suo, Wonpil Im, Seok-Yong Lee
Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8. Science advances 10 (31) (2024)
Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim, Kwangho Nam, Wonpil Im
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods. Journal of chemical theory and computation 20 (12) (2024)
Ying Yin, Cheon-Gyu Park, Feng Zhang, Justin G Fedor, Shasha Feng, Yang Suo, Wonpil Im, Seok-Yong Lee
Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8. Science advances 10 (31) (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Multicomponent Assembler for modeling and simulation of complex multicomponent systems. Nature communications 15 (1) (2024)
Han Zhang, Wonpil Im
Ligand Binding Affinity Prediction for Membrane Proteins with Alchemical Free Energy Calculation Methods. Journal of chemical information and modeling 64 (14) (2024)
Jacob R Gissinger, Ilia Nikiforov, Yaser Afshar, Brendon Waters, Moon-Ki Choi, Daniel S Karls, Alexander Stukowski, Wonpil Im, Hendrik Heinz, Axel Kohlmeyer, Ellad B Tadmor
Type Label Framework for Bonded Force Fields in LAMMPS. The journal of physical chemistry. B 128 (13) (2024)
Stephen E Gee, Kerney Jebrell Glover, Nathan J Wittenberg, Wonpil Im
CHARMM-GUI Membrane Builder for Lipid Droplet Modeling and Simulation. ChemPlusChem (2024)
Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Multicomponent Assembler for modeling and simulation of complex multicomponent systems. Nature communications 15 (1) (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Stephen E Gee, Kerney Jebrell Glover, Nathan J Wittenberg, Wonpil Im
CHARMM-GUI Membrane Builder for Lipid Droplet Modeling and Simulation. ChemPlusChem 89 (8) (2024)
Han Zhang, Wonpil Im
Ligand Binding Affinity Prediction for Membrane Proteins with Alchemical Free Energy Calculation Methods. Journal of chemical information and modeling (2024)
Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Multicomponent Assembler for modeling and simulation of complex multicomponent systems. Nature communications 15 (1) (2024)
Ying Yin, Cheon-Gyu Park, Feng Zhang, Justin G Fedor, Shasha Feng, Yang Suo, Wonpil Im, Seok-Yong Lee
Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8. Science advances 10 (31) (2024)
Andrew A George, Sabin J John, Linda M Lucero, J Brek Eaton, Ekta Jaiswal, Sean B Christensen, Joanna Gajewiak, Maren Watkins, Yiwei Cao, Baldomero M Olivera, Wonpil Im, J Michael McIntosh, Paul Whiteaker
Analogs of α-conotoxin PnIC selectively inhibit α7β2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism. FASEB journal : official publication of the Federation of American Societies for Experimental Biology 38 (1) (2024)
Han Zhang, Wonpil Im
Ligand Binding Affinity Prediction for Membrane Proteins with Alchemical Free Energy Calculation Methods. Journal of chemical information and modeling 64 (14) (2024)
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)
Nicholas J Wright, Feng Zhang, Yang Suo, Lingyang Kong, Ying Yin, Justin G Fedor, Kedar Sharma, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Antiviral drug recognition and elevator-type transport motions of CNT3. Nature chemical biology (2024)
Stephen E Gee, Kerney Jebrell Glover, Nathan J Wittenberg, Wonpil Im
CHARMM-GUI Membrane Builder for Lipid Droplet Modeling and Simulation. ChemPlusChem 89 (8) (2024)
Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim, Kwangho Nam, Wonpil Im
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods. Journal of chemical theory and computation (2024)
Donghyuk Suh, Abdul Raafik Arattu Thodika, Seonghoon Kim, Kwangho Nam, Wonpil Im
CHARMM-GUI QM/MM Interfacer for a Quantum Mechanical and Molecular Mechanical (QM/MM) Simulation Setup: 1. Semiempirical Methods. Journal of chemical theory and computation 20 (12) (2024)
Aaron R Hall, Yeol Kyo Choi, Wonpil Im, Dimitrios Vavylonis
Anillin Related Mid1 as an Adaptive and Multimodal Contractile Ring Anchoring Protein: A Simulation Study. bioRxiv : the preprint server for biology (2023)
Ya Gao, Göran Widmalm, Wonpil Im
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides. Journal of chemical information and modeling 63 (5) (2023)
Aaron R Hall, Yeol Kyo Choi, Wonpil Im, Dimitrios Vavylonis
Anillin Related Mid1 as an Adaptive and Multimodal Contractile Ring Anchoring Protein: A Simulation Study. bioRxiv : the preprint server for biology (2023)
Aaron R Hall, Yeol Kyo Choi, Wonpil Im, Dimitrios Vavylonis
Anillin Related Mid1 as an Adaptive and Multimodal Contractile Ring Anchoring Protein: A Simulation Study. bioRxiv : the preprint server for biology (2023)
Nathan R Kern, Jumin Lee, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Multicomponent Assembler for Modeling and Simulation of Complex Multicomponent Systems. bioRxiv : the preprint server for biology (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Wenjuan Jiang, Tharaka D Wijerathne, Han Zhang, Yi-Chun Lin, Sunhwan Jo, Wonpil Im, Jerome J Lacroix, Yun Lyna Luo
Structural and thermodynamic framework for PIEZO1 modulation by small molecules. Proceedings of the National Academy of Sciences of the United States of America 120 (50) (2023)
Aaron R Hall, Yeol Kyo Choi, Wonpil Im, Dimitrios Vavylonis
Anillin Related Mid1 as an Adaptive and Multimodal Contractile Ring Anchoring Protein: A Simulation Study. bioRxiv : the preprint server for biology (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Do Hoon Kwon, Feng Zhang, Brett A McCray, Shasha Feng, Meha Kumar, Jeremy M Sullivan, Wonpil Im, Charlotte J Sumner, Seok-Yong Lee
TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nature communications 14 (1) (2023)
Ya Gao, Göran Widmalm, Wonpil Im
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides. Journal of chemical information and modeling 63 (5) (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Shasha Feng, Soohyung Park, Yeol Kyo Choi, Wonpil Im
CHARMM-GUI Membrane Builder : Past, Current, and Future Developments and Applications. Journal of chemical theory and computation (2023)
Jongdae Won, Jinsung Kim, Hyeongseop Jeong, Jinhyeong Kim, Shasha Feng, Byeongseok Jeong, Misun Kwak, Juyeon Ko, Wonpil Im, Insuk So, Hyung Ho Lee
Molecular architecture of the Gα i -bound TRPC5 ion channel. Nature communications 14 (1) (2023)
Jongdae Won, Jinsung Kim, Hyeongseop Jeong, Jinhyeong Kim, Shasha Feng, Byeongseok Jeong, Misun Kwak, Juyeon Ko, Wonpil Im, Insuk So, Hyung Ho Lee
Molecular architecture of the Gα i -bound TRPC5 ion channel. Nature communications 14 (1) (2023)
Yang Suo, Nicholas J Wright, Hugo Guterres, Justin G Fedor, Kevin John U Butay, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2. Nature structural & molecular biology (2023)
Hugo Guterres, Wonpil Im
CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes. Journal of chemical information and modeling (2023)
Lubna Ghani, Seonghoon Kim, Muhammad Ehsan, Baoliang Lan, Ida H Poulsen, Chandra Dev, Satoshi Katsube, Bernadette Byrne, Lan Guan, Claus J Løland, Xiangyu Liu, Wonpil Im, Pil Seok Chae
Melamine-cored glucosides for membrane protein solubilization and stabilization: importance of water-mediated intermolecular hydrogen bonding in detergent performance. Chemical science 14 (45) (2023)
Jongdae Won, Jinsung Kim, Hyeongseop Jeong, Jinhyeong Kim, Shasha Feng, Byeongseok Jeong, Misun Kwak, Juyeon Ko, Wonpil Im, Insuk So, Hyung Ho Lee
Molecular architecture of the Gα i -bound TRPC5 ion channel. Nature communications 14 (1) (2023)
Aaron R Hall, Yeol Kyo Choi, Wonpil Im, Dimitrios Vavylonis
Anillin Related Mid1 as an Adaptive and Multimodal Contractile Ring Anchoring Protein: A Simulation Study. bioRxiv : the preprint server for biology (2023)
Irina D Pogozheva, Stanislav Cherepanov, Sang-Jun Park, Malini Raghavan, Wonpil Im, Andrei L Lomize
Structural modeling of cytokine-receptor-JAK2 signaling complexes using AlphaFold Multimer. bioRxiv : the preprint server for biology (2023)
Soohyung Park, Ilya Levental, Richard W Pastor, Wonpil Im
Unsaturated Lipids Facilitate Partitioning of Transmembrane Peptides into the Liquid Ordered Phase. Journal of chemical theory and computation (2023)
Turner Brown, Matthieu Chavent, Wonpil Im
Molecular Modeling and Simulation of the Mycobacterial Cell Envelope: From Individual Components to Cell Envelope Assemblies. The journal of physical chemistry. B (2023)
Chulwon Choi, Jungnam Bae, Seonghan Kim, Seho Lee, Hyunook Kang, Jinuk Kim, Injin Bang, Kiheon Kim, Won-Ki Huh, Chaok Seok, Hahnbeom Park, Wonpil Im, Hee-Jung Choi
Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family. Nature communications 14 (1) (2023)
Jongdae Won, Jinsung Kim, Hyeongseop Jeong, Jinhyeong Kim, Shasha Feng, Byeongseok Jeong, Misun Kwak, Juyeon Ko, Wonpil Im, Insuk So, Hyung Ho Lee
Molecular architecture of the Gα i -bound TRPC5 ion channel. Nature communications 14 (1) (2023)
Krishan Kanhaiya, Michael Nathanson, Pieter J In 't Veld, Cheng Zhu, Ilia Nikiforov, Ellad B Tadmor, Yeol Kyo Choi, Wonpil Im, Ratan K Mishra, Hendrik Heinz
Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale. Journal of chemical theory and computation (2023)
Yang Suo, Nicholas J Wright, Hugo Guterres, Justin G Fedor, Kevin John U Butay, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Molecular basis of polyspecific drug binding and transport by OCT1 and OCT2. bioRxiv : the preprint server for biology (2023)
Soohyung Park, Amy Rice, Wonpil Im, Richard W Pastor
Spontaneous curvature generation by peptides in asymmetric bilayers. Journal of computational chemistry (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Ya Gao, Göran Widmalm, Wonpil Im
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides. Journal of chemical information and modeling (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Irina D Pogozheva, Stanislav Cherepanov, Sang-Jun Park, Malini Raghavan, Wonpil Im, Andrei L Lomize
Structural Modeling of Cytokine-Receptor-JAK2 Signaling Complexes Using AlphaFold Multimer. Journal of chemical information and modeling (2023)
Chelsea M Brown, Robin Adam Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J Stansfeld, Matthieu Chavent
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane. Proceedings of the National Academy of Sciences of the United States of America 120 (5) (2023)
Hyun-Kyu Choi, Hyunook Kang, Chanwoo Lee, Hyun Gyu Kim, Ben P Phillips, Soohyung Park, Charlotte Tumescheit, Sang Ah Kim, Hansol Lee, Soung-Hun Roh, Kristen A Gaffney, Martin Steinegger, Wonpil Im, Elizabeth A Miller, Hee-Jung Choi, Tae-Young Yoon
Evolutionary balance between foldability and functionality of a glucose transporter. Nature chemical biology 18 (7) (2022)
Han Zhang, Seonghoon Kim, Wonpil Im
Practical Guidance for Consensus Scoring and Force Field Selection in Protein-Ligand Binding Free Energy Simulations. Journal of chemical information and modeling (2022)
Irina D Pogozheva, Grant A Armstrong, Lingyang Kong, Timothy J Hartnagel, Carly A Carpino, Stephen E Gee, Danielle M Picarello, Amanda S Rubin, Jumin Lee, Soohyung Park, Andrei L Lomize, Wonpil Im
Comparative Molecular Dynamics Simulation Studies of Realistic Eukaryotic, Prokaryotic, and Archaeal Membranes. Journal of chemical information and modeling 62 (4) (2022)
Ying Yin, Feng Zhang, Shasha Feng, Kevin John U Butay, Mario Juan Borgnia, Wonpil Im, Seok-Yong Lee
Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2 . Science (New York, N.Y.) 378 (6616) (2022)
Kye Won Wang, Jumin Lee, Han Zhang, Donghyuk Suh, Wonpil Im
CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs. The journal of physical chemistry. B 126 (38) (2022)
Tandrila Das, Xinglin Yang, Hwayoung Lee, Emma H Garst, Estefania Valencia, Kartik Chandran, Wonpil Im, Howard C Hang
S -Palmitoylation and Sterol Interactions Mediate Antiviral Specificity of IFITMs. ACS chemical biology 17 (8) (2022)
Donghyuk Suh, Shasha Feng, Hwayoung Lee, Han Zhang, Sang-Jun Park, Seonghan Kim, Jumin Lee, Sun Choi, Wonpil Im
CHARMM-GUI Enhanced Sampler for various collective variables and enhanced sampling methods. Protein science : a publication of the Protein Society 31 (11) (2022)
Chaehee Park, Jinuk Kim, Seung-Bum Ko, Yeol Kyo Choi, Hyeongseop Jeong, Hyeonuk Woo, Hyunook Kang, Injin Bang, Sang Ah Kim, Tae-Young Yoon, Chaok Seok, Wonpil Im, Hee-Jung Choi
Structural basis of neuropeptide Y signaling through Y1 receptor. Nature communications 13 (1) (2022)
Seonghan Kim, Yi Liu, Zewei Lei, Jeffrey Dicker, Yiwei Cao, X Frank Zhang, Wonpil Im
Correction to "Differential Interactions between Human ACE2 and Spike RBD of SARS-CoV-2 Variants of Concern". Journal of chemical theory and computation 18 (6) (2022)
Chuqiao Dong, Yeol Kyo Choi, Jumin Lee, X Frank Zhang, Aurelia Honerkamp-Smith, Göran Widmalm, Linda J Lowe-Krentz, Wonpil Im
Structure, Dynamics, and Interactions of GPI-Anchored Human Glypican-1 with Heparan Sulfates in a Membrane. Glycobiology 31 (5) (2022)
Shasha Feng, Ruth A Pumroy, Anna D Protopopova, Vera Y Moiseenkova-Bell, Wonpil Im
Modulation of TRPV2 by Endogenous and Exogenous Ligands: A Computational Study. Protein science : a publication of the Protein Society (2022)
Seonghan Kim, Yi Liu, Matthew Ziarnik, Sangjae Seo, Yiwei Cao, X Frank Zhang, Wonpil Im
Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among SARS-CoV-2 variants of concern. Journal of computational chemistry (2022)
Shasha Feng, Lingyang Kong, Stephen E Gee, Wonpil Im
Molecular Condensate in a Membrane: A Tugging Game between Hydrophobicity and Polarity with Its Biological Significance. Langmuir : the ACS journal of surfaces and colloids 38 (19) (2022)
Chaehee Park, Jinuk Kim, Seung-Bum Ko, Yeol Kyo Choi, Hyeongseop Jeong, Hyeonuk Woo, Hyunook Kang, Injin Bang, Sang Ah Kim, Tae-Young Yoon, Chaok Seok, Wonpil Im, Hee-Jung Choi
Author Correction: Structural basis of neuropeptide Y signaling through Y1 receptor. Nature communications 13 (1) (2022)
Josep Rizo, Levent Sari, Yife Qi, Wonpil Im, Milo M Lin
All-atom molecular dynamics simulations of Synaptotagmin-SNARE-complexin complexes bridging a vesicle and a flat lipid bilayer. eLife 11 (2022)
Hugo Guterres, Sang-Jun Park, Yiwei Cao, Wonpil Im
CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding Site. Journal of chemical information and modeling 61 (11) (2021)
Yiwei Cao, Yeol Kyo Choi, Martin Frank, Hyeonuk Woo, Sang-Jun Park, Min Sun Yeom, Chaok Seok, Wonpil Im
Dynamic Interactions of Fully Glycosylated SARS-CoV-2 Spike Protein with Various Antibodies. Journal of chemical theory and computation 17 (10) (2021)
Yeol Kyo Choi, Nathan R Kern, Seonghan Kim, Krishan Kanhaiya, Yaser Afshar, Sun Hee Jeon, Sunhwan Jo, Bernard R Brooks, Jumin Lee, Ellad B Tadmor, Hendrik Heinz, Wonpil Im
CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems. Journal of chemical theory and computation (2021)
Noel J Ferraro, Seonghoon Kim, Wonpil Im, Marcos M Pires
Systematic Assessment of Accessibility to the Surface of Staphylococcus aureus. ACS chemical biology 16 (11) (2021)
Soohyung Park, Yeol Kyo Choi, Seonghoon Kim, Jumin Lee, Wonpil Im
CHARMM-GUI Membrane Builder for Lipid Nanoparticles with Ionizable Cationic Lipids and PEGylated Lipids. Journal of chemical information and modeling 61 (10) (2021)
Yeol Kyo Choi, Sang-Jun Park, Soohyung Park, Seonghoon Kim, Nathan R Kern, Jumin Lee, Wonpil Im
CHARMM-GUI Polymer Builder for Modeling and Simulation of Synthetic Polymers. Journal of chemical theory and computation 17 (4) (2021)
Emanuel Luna, Seonghoon Kim, Ya Gao, Göran Widmalm, Wonpil Im
Influences of Vibrio cholerae Lipid A Types on LPS Bilayer Properties. The journal of physical chemistry. B 125 (8) (2021)
Anastasia Croitoru, Sang-Jun Park, Anmol Kumar, Jumin Lee, Wonpil Im, Alexander D MacKerell, Alexey Aleksandrov
Additive CHARMM36 Force Field for Nonstandard Amino Acids. Journal of chemical theory and computation 17 (6) (2021)
Han Zhang, Seonghoon Kim, Timothy J Giese, Tai-Sung Lee, Jumin Lee, Darrin M York, Wonpil Im
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER. Journal of chemical information and modeling 61 (9) (2021)
Emma H Garst, Hwayoung Lee, Tandrila Das, Shibani Bhattacharya, Avital Percher, Rafal P Wiewiora, Isaac P Witte, Yumeng Li, Tao Peng, Wonpil Im, Howard C Hang
Site-Specific Lipidation Enhances IFITM3 Membrane Interactions and Antiviral Activity. ACS chemical biology 16 (5) (2021)
Yeol Kyo Choi, Yiwei Cao, Martin Frank, Hyeonuk Woo, Sang-Jun Park, Min Sun Yeom, Tristan I Croll, Chaok Seok, Wonpil Im
Structure, Dynamics, Receptor Binding, and Antibody Binding of the Fully Glycosylated Full-Length SARS-CoV-2 Spike Protein in a Viral Membrane. Journal of chemical theory and computation 17 (4) (2021)
Ya Gao, Jumin Lee, Iain Peter Shand Smith, Hwayoung Lee, Seonghoon Kim, John Z H Zhang, Jeffery B Klauda, Göran Widmalm, Syma Khalid, Wonpil Im
CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides. Journal of chemical information and modeling 61 (2) (2021)
Jumin Lee, Manuel Hitzenberger, Manuel Rieger, Nathan R Kern, Martin Zacharias, Wonpil Im
CHARMM-GUI supports the Amber force fields. The Journal of chemical physics 153 (3) (2021)
Ya Gao, Jumin Lee, Göran Widmalm, Wonpil Im
Correction to "Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Enterobacterial Common Antigen". The journal of physical chemistry. B 125 (32) (2021)
Seonghan Kim, Yi Liu, Zewei Lei, Jeffrey Dicker, Yiwei Cao, X Frank Zhang, Wonpil Im
Differential Interactions between Human ACE2 and Spike RBD of SARS-CoV-2 Variants of Concern. Journal of chemical theory and computation (2021)
Abhishek A Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A Lemkul, Jing Huang, Alexander D MacKerell, Wonpil Im
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. Journal of computational chemistry (2021)
Hugo Guterres, Sang-Jun Park, Han Zhang, Wonpil Im
CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and Refinement. Journal of chemical information and modeling 61 (8) (2021)
Shasha Feng, Ruixing Wang, Richard W Pastor, Jeffery B Klauda, Wonpil Im
Location and Conformational Ensemble of Menaquinone and Menaquinol, and Protein-Lipid Modulations in Archaeal Membranes. The journal of physical chemistry. B 125 (18) (2021)
Yifei Qi, Jumin Lee, Jeffery B Klauda, Wonpil Im
CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems. Journal of computational chemistry 40 (7) (2020)
Samyuktha Ramesh, Soohyung Park, Melissa J Call, Wonpil Im, Matthew E Call
Experimentally Guided Computational Methods Yield Highly Accurate Insights into Transmembrane Interactions within the T Cell Receptor Complex. The journal of physical chemistry. B 124 (46) (2020)

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