John D. Chodera
1992–2025 年に発表
- 127
- 論文数
- 25,274
- 被引用数
- 69
- h 指数
- 118
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology43.9%
- Medicine20.2%
- Computer Science14.7%
- Physics and Astronomy6.1%
- Materials Science5.6%
- Chemistry3.5%
- その他6%
トピック
- Protein Structure and Dynamics13.8%
- Computational Drug Discovery Methods8.4%
- SARS-CoV-2 and COVID-19 Research4%
- Enzyme Structure and Function3.4%
- Machine Learning in Materials Science3.4%
- Spectroscopy and Quantum Chemical Studies3.2%
- その他63.8%
共著者
- David L. Mobley39
- Michael R. Shirts20
- Josh Fass11
- Ken A. Dill11
- Michael K. Gilson11
- Alpha A. Lee10
- Ariën S. Rustenburg10
- Lee‐Ping Wang10
- Vijay S. Pande10
- Yuanqing Wang9
- Andrea Rizzi8
- Christopher I. Bayly8
- Nir London8
- F. von Delft7
- Iván Pulido7
- Simon Boothroyd7
- Steven K. Albanese7
- Sukrit Singh7
- Ivy Zhang6
- Kenichiro Takaba6
- Michael M. Henry6
- Rafal Wiewiora6
- Thomas E. Markland6
- Frank Noé5
全論文
- Statistically optimal analysis of samples from multiple equilibrium states
著者: Michael R. Shirts, John D. Chodera - The Journal of Chemical Physics 2008 被引用: 1,992
- Markov models of molecular kinetics: Generation and validation
著者: Jan-Hendrik Prinz, Hao Wu, Marco Sarich, Bettina G. Keller, Martin Senne, Martin Held, John D. Chodera, Christof Schütte, Frank Noé - The Journal of Chemical Physics 2011 被引用: 1,347
- MEN1 mutations mediate clinical resistance to menin inhibition
著者: Florian Perner, Eytan M. Stein, Daniela V. Wenge, Sukrit Singh, Jeonghyeon Kim, Athina Apazidis, Homa Rahnamoun, Disha Anand, Christian Marinaccio, Charlie Hatton, Yanhe Wen, Richard M. Stone, David Schaller, Shoron Mowla, Wenbin Xiao, Holly A. Gamlen, Aaron J. Stonestrom, Sonali Persaud, Elizabeth T. Ener, Jevon Cutler, John G. Doench, Gerard M. McGeehan, Andrea Volkamer, John D. Chodera, Radosław P. Nowak, Eric S. Fischer, Ross L. Levine, Scott A. Armstrong, Sheng F. Cai - Nature 2023 被引用: 243
- SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape
著者: Tyler N. Starr, Nadine Czudnochowski, Zhuoming Liu, Fabrizia Zatta, Young‐Jun Park, Amin Addetia, Dora Pinto, Martina Beltramello, Patrick Hernandez, Allison J. Greaney, Roberta Marzi, William G. Glass, Ivy Zhang, Adam S. Dingens, John E. Bowen, M. Alejandra Tortorici, Alexandra C. Walls, Jason A. Wojcechowskyj, Anna De Marco, Laura E. Rosen, Jiayi Zhou, Martin Montiel-Ruiz, Hannah Kaiser, Josh R. Dillen, Heather Tucker, Jessica Bassi, Chiara Silacci-Fregni, Michael P. Housley, Julia di Iulio, Gloria Lombardo, Maria L. Agostini, Nicole Sprugasci, Katja Culap, Stefano Jaconi, Marcel Meury, Exequiel Dellota, Rana Abdelnabi, Caroline S. Foo, Elisabetta Cameroni, Spencer Stumpf, Tristan I. Croll, Jay C. Nix, Colin Havenar‐Daughton, Luca Piccoli, Fabio Benigni, Johan Neyts, Amalio Telenti, Florian A. Lempp, Matteo Samuele Pizzuto, John D. Chodera, Christy M. Hebner, Herbert W. Virgin, Sean P. J. Whelan, David Veesler, Davide Corti, Jesse D. Bloom, Gyorgy Snell - Nature 2021 被引用: 600
- Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
著者: Melissa L. Boby, D. Fearon, Matteo P. Ferla, Mihajlo Filep, L. Koekemoer, Matthew C. Robinson, John D. Chodera, Alpha A. Lee, Nir London, Annette von Delft, F. von Delft, Hagit Achdout, A. Aimon, Dominic S. Alonzi, Robert Arbon, J.C. Aschenbrenner, Blake Balcomb, Elad Bar-David, Haim Barr, Amir Ben‐Shmuel, James M. Bennett, Vitaliy A. Bilenko, Bruce Borden, Pascale Boulet, Gregory R. Bowman, Lennart Brewitz, Juliane Brun, Sarma BVNBS, Mark Calmiano, Anna Carbery, Daniel W. Carney, Emma Cattermole, Edcon Chang, Eugene Chernyshenko, Austin Clyde, Joseph E. Coffland, Galit Cohen, Jason C. Cole, Alessandro Contini, Lisa Sanderson Cox, Tristan I. Croll, Milan Cvitkovic, Steven De Jonghe, Alex Dias, Kim Donckers, David Dotson, A. Douangamath, Shirly Duberstein, Tim Dudgeon, Louise E. Dunnett, Peter Eastman, Noam Erez, Charles J. Eyermann, M. Fairhead, Gwen Fate, O. Fedorov, R.S. Fernandes, Lori Ferrins, Richard Foster, Holly Foster, Laurent Fraisse, Ronen Gabizon, Adolfo García‐Sastre, Victor O. Gawriljuk, Paul Gehrtz, C. Gileadi, Charline Giroud, William G. Glass, Robert C. Glen, Itai Glinert, André S. Godoy, Marian V. Gorichko, T.J. Gorrie-Stone, Ed Griffen, Amna Haneef, Storm Hassell Hart, Jag Heer, Michael M. Henry, Michelle L. Hill, Sam Horrell, Qiu Yu J. Huang, Victor D. Huliak, Matthew F. D. Hurley, Tomer Israely, Andrew J. Jajack, Jitske Jansen, Eric Jnoff, Dirk Jochmans, Tobias John, Benjamin Kaminow, Lulu Kang, A.L. Kantsadi, Peter W. Kenny, J. L. Kiappes, Serhii O. Kinakh, Boris Kovar, T. Krojer, Van Ngoc Thuy La, Sophie Laghnimi-Hahn, Bruce A. Lefker ほか 118 名 - Science 2023 被引用: 175
- Best Practices for Alchemical Free Energy Calculations [Article v1.0].
著者: Antonia S. J. S. Mey, Bryce K. Allen, Hannah E. Bruce Macdonald, John D. Chodera, David F. Hahn, Maximilian Kühn, Julien Michel, David L. Mobley, Levi N. Naden, Samarjeet Prasad, Andrea Rizzi, Jenke Scheen, Michael R. Shirts, Gary Tresadern, Huafeng Xu - Living Journal of Computational Molecular Science 2019 被引用: 270
- Current Status of the AMOEBA Polarizable Force Field
著者: Jay W. Ponder, Chuanjie Wu, Pengyu Ren, Vijay S. Pande, John D. Chodera, Michael J. Schnieders, Imran S. Haque, David L. Mobley, Daniel S. Lambrecht, Robert A. DiStasio, Martin Head‐Gordon, Gary N. I. Clark, Margaret E. Johnson, Teresa Head‐Gordon - The Journal of Physical Chemistry B 2010 被引用: 1,481
- Ensemble Docking in Drug Discovery
著者: Rommie E. Amaro, Jérôme Baudry, John D. Chodera, Özlem Demir, J. Andrew McCammon, Yinglong Miao, Jeremy C. Smith - Biophysical Journal 2018 被引用: 496
- Markov state models of biomolecular conformational dynamics
著者: John D. Chodera, Frank Noé - Current Opinion in Structural Biology 2014 被引用: 836
- Hypoxia Induces Production of L-2-Hydroxyglutarate
著者: Andrew M. Intlekofer, Raymond G. Dematteo, Sriram Venneti, Lydia W.S. Finley, Chao Lü, Alexander R. Judkins, Ariën S. Rustenburg, Patrick Grinaway, John D. Chodera, Justin R. Cross, Craig B. Thompson - Cell Metabolism 2015 被引用: 510
- CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding
著者: Suzanne Ackloo, Rima Al‐awar, Rommie E. Amaro, C.H. Arrowsmith, Hatylas Azevedo, Robert A. Batey, Yoshua Bengio, Ulrich A. K. Betz, Cristian Bologa, John D. Chodera, Wendy D. Cornell, Ian Dunham, Gerhard F. Ecker, Kristina Edfeldt, A.M. Edwards, Michael K. Gilson, Cláudia R. Gordijo, Gerhard Heßler, Alexander Hillisch, Anders Hogner, John J. Irwin, Johanna M. Jansen, Daniel Kühn, Andrew R. Leach, Alpha A. Lee, Uta Lessel, Maxwell R. Morgan, John Moult, Ingo Muegge, Tudor I. Oprea, Benjamin Perry, Patrick Riley, Sophie A. L. Rousseaux, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Matthieu Schapira, Cora Scholten, Matthew H. Todd, Masoud Vedadi, Andrea Volkamer, Timothy M. Willson - Nature Reviews Chemistry 2022 被引用: 102
- OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
著者: Peter K. Eastman, Jason M. Swails, John D. Chodera, Robert McGibbon, Yutong Zhao, Kyle Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande - PLoS Computational Biology, PLoS Comput. Biol. 2016 被引用: 2,763
- SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
著者: Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan Borowsky, Rafal Wiewiora, Matthew F. D. Hurley, Aoife M. Harbison, Carl A. Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, Gregory R. Bowman - Nature Chemistry 2021 被引用: 301
- OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
著者: Peter Eastman, Mark S. Friedrichs, John D. Chodera, Randall J. Radmer, Christopher M. Bruns, Joy P. Ku, Kyle A. Beauchamp, Thomas J. Lane, Lee‐Ping Wang, Diwakar Shukla, Tony Tye, Mike Houston, Timo Stich, Christoph Klein, Michael R. Shirts, Vijay S. Pande - Journal of Chemical Theory and Computation 2012 被引用: 750
- INK4 Tumor Suppressor Proteins Mediate Resistance to CDK4/6 Kinase Inhibitors
著者: Qing Li, Baishan Jiang, Jiaye Guo, Hong Shao, Isabella Del Priore, Qing Chang, Rei Kudo, Zhiqiang Li, Pedram Razavi, Bo Liu, Andrew S. Boghossian, Matthew G. Rees, Melissa M. Ronan, Jennifer A. Roth, Katherine A. Donovan, Marta Palafox, Jorge S. Reis‐Filho, Elisa de Stanchina, Eric S. Fischer, Neal Rosen, Violeta Serra, Andrew Koff, John D. Chodera, Nathanael S. Gray, Sarat Chandarlapaty - Cancer Discovery 2021 被引用: 165
- NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics
著者: Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter K. Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2023 被引用: 90
- Alchemical free energy methods for drug discovery: progress and challenges
著者: John D. Chodera, David L. Mobley, Michael R. Shirts, R. W. Dixon, Kim Branson, Vijay S. Pande - Current Opinion in Structural Biology 2011 被引用: 586
- Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field
著者: Yudong Qiu, Daniel G. A. Smith, Simon Boothroyd, Hyesu Jang, David F. Hahn, Jeffrey Wagner, Caitlin C. Bannan, Trevor Gokey, Victoria T. Lim, Chaya Stern, Andrea Rizzi, Bryon Tjanaka, Gary Tresadern, Xavier Lucas, Michael R. Shirts, Michael K. Gilson, John D. Chodera, Christopher I. Bayly, David L. Mobley, Lee‐Ping Wang - Journal of Chemical Theory and Computation 2021 被引用: 170
- L-2-Hydroxyglutarate production arises from noncanonical enzyme function at acidic pH
著者: Andrew M. Intlekofer, Bo Wang, Hui Liu, Hardik Shah, Carlos Carmona‐Fontaine, Ariën S. Rustenburg, Salah Salah, M. R. Gunner, John D. Chodera, Justin R. Cross, Craig B. Thompson - Nature Chemical Biology 2017 被引用: 270
- Entropy-Enthalpy Compensation: Role and Ramifications in Biomolecular Ligand Recognition and Design
著者: John D. Chodera, David L. Mobley - Annual Review of Biophysics 2013 被引用: 537
- End-to-end differentiable construction of molecular mechanics force fields
著者: Yuanqing Wang, Josh Fass, Benjamin Kaminow, John E. Herr, Dominic A. Rufa, Ivy Zhang, Iván Pulido, Michael M. Henry, Hannah E. Bruce Macdonald, Kenichiro Takaba, John D. Chodera - Chemical Science 2022 被引用: 90
- Acquired resistance to IDH inhibition through trans or cis dimer-interface mutations
著者: Andrew M. Intlekofer, Alan H. Shih, Bo Wang, Abbas Nazir, Ariën S. Rustenburg, Steven K. Albanese, Minal Patel, Christopher Famulare, Fabian Correa, Naofumi Takemoto, Vidushi Durani, Hui Liu, Justin Taylor, Noushin Farnoud, Elli Papaemmanuil, Justin R. Cross, Martin S. Tallman, Maria E. Arcila, Mikhail Roshal, Gregory A. Petsko, Bin Wu, Sung Choe, Zenon Konteatis, Scott A. Biller, John D. Chodera, Craig B. Thompson, Ross L. Levine, Eytan M. Stein - Nature 2018 被引用: 280
- Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0]
著者: David F. Hahn, Christopher I. Bayly, Melissa L. Boby, Hannah E. Bruce Macdonald, John D. Chodera, Vytautas Gapsys, Antonia S. J. S. Mey, David L. Mobley, Laura Pérez‐Benito, Christina Schindler, Gary Tresadern, Gregory L. Warren - Living Journal of Computational Molecular Science 2022 被引用: 81
- Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
著者: Emma C. Thomson, Laura E. Rosen, James G. Shepherd, Roberto Spreafico, Ana da Silva Filipe, Jason A. Wojcechowskyj, Christopher Davis, Luca Piccoli, David J. Pascall, Josh R. Dillen, Spyros Lytras, Nadine Czudnochowski, Rajiv Shah, Marcel Meury, Natasha Jesudason, Anna De Marco, Kathy Li, Jessica Bassi, Áine O’Toole, Dora Pinto, Rachel Colquhoun, Katja Culap, Ben Jackson, Fabrizia Zatta, Andrew Rambaut, Stefano Jaconi, Vattipally B. Sreenu, Jay C. Nix, Ivy Zhang, Ruth F. Jarrett, William G. Glass, Martina Beltramello, Kyriaki Nomikou, Matteo Samuele Pizzuto, L. Tong, Elisabetta Cameroni, Tristan I. Croll, Natasha Johnson, Julia di Iulio, Arthur Wickenhagen, Alessandro Ceschi, Aoife M. Harbison, Daniel Mair, Paolo Ferrari, Katherine Smollett, Federica Sallusto, Stephen Carmichael, Christian Garzoni, Jenna Nichols, Massimo Galli, Joseph Hughes, Agostino Riva, Antonia Ho, Marco Schiuma, Malcolm G. Semple, Peter Openshaw, Elisa Fadda, J. Kenneth Baillie, John D. Chodera, Suzannah J. Rihn, Samantha Lycett, Herbert W. Virgin, Amalio Telenti, Davide Corti, David L. Robertson, Gyorgy Snell - Cell 2021 被引用: 660
