Michael K. Gilson
1985–2026 年に発表
- 156
- 論文数
- 27,318
- 被引用数
- 82
- h 指数
- 139
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology36.5%
- Computer Science34%
- Medicine10%
- Chemistry5%
- Physics and Astronomy3.8%
- Materials Science3.5%
- その他7.2%
トピック
- Computational Drug Discovery Methods16.5%
- Protein Structure and Dynamics12.9%
- Enzyme Structure and Function3.3%
- Bioinformatics and Genomic Networks3.2%
- Machine Learning in Materials Science3%
- Spectroscopy and Quantum Chemical Studies2.3%
- その他58.8%
共著者
- David L. Mobley18
- J. Andrew McCammon13
- John D. Chodera11
- Michael R. Shirts11
- Niel M. Henriksen11
- Andrew T. Fenley9
- Hari S. Muddana9
- Jan Antosiewicz8
- Michael Chiu8
- Rommie E. Amaro8
- Barry Honig7
- Germano Heinzelmann7
- Jian Yin7
- Lee‐Ping Wang7
- Peter Eckmann7
- Rose Yu7
- Wei Chen7
- Christopher I. Bayly6
- David R. Slochower6
- Tom Kurtzman6
- W. Patrick Walters6
- Caitlin C. Bannan5
- Chia‐en A. Chang5
- Jeffrey Wagner5
全論文
- BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
著者: Michael K. Gilson, Tiqing Liu, Michael Baitaluk, George Nicola, Linda Hwang, Jenny Chong - Nucleic Acids Research, Nucleic Acids Res. 2015 被引用: 1,674
- BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
著者: Tiqing Liu, Yuhmei Lin, Xin Wen, Robert N. Jorissen, Michael K. Gilson - Nucleic Acids Research, Nucleic Acids Res. 2006 被引用: 2,147
- Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
著者: Michael R. Shirts, Christoph Klein, Jason M. Swails, Jian Yin, Michael K. Gilson, David L. Mobley, David A. Case, Ellen D. Zhong - Journal of Computer-Aided Molecular Design, J. Comput. Aided Mol. Des. 2016 被引用: 394
- Predicting Binding Free Energies: Frontiers and Benchmarks
著者: David L. Mobley, Michael K. Gilson - Annual Review of Biophysics 2017 被引用: 411
- The statistical-thermodynamic basis for computation of binding affinities: a critical review
著者: Michael K. Gilson, James A. Given, Bruce L. Bush, J. Andrew McCammon - Biophysical Journal 1997 被引用: 1,262
- Calculation of Protein-Ligand Binding Affinities
著者: Michael K. Gilson, Huan‐Xiang Zhou - Annual Review of Biophysics and Biomolecular Structure 2007 被引用: 966
- 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
- Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)
著者: Michael Schauperl, Paul S. Nerenberg, Hyesu Jang, Lee‐Ping Wang, Christopher I. Bayly, David L. Mobley, Michael K. Gilson - Communications Chemistry 2020 被引用: 304
- 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
- Alignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set
著者: Sergio Alejandro Pinacho-Castellanos, César R. García-Jacas, Michael K. Gilson, Carlos A. Brizuela - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2021 被引用: 82
- D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
著者: Conor D. Parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Johanna M. Jansen, Georgia B. McGaughey, Richard A. Lewis, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson - Journal of Computer-Aided Molecular Design, J. Comput. Aided Mol. Des. 2019 被引用: 145
- Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation
著者: Germano Heinzelmann, Michael K. Gilson - Scientific Reports 2021 被引用: 119
- D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings
著者: Zied Gaieb, Conor D. Parks, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Millard H. Lambert, Neysa Nevins, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson - Journal of Computer-Aided Molecular Design, J. Comput. Aided Mol. Des. 2019 被引用: 154
- D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
著者: Zied Gaieb, Shuai Liu, Symon Gathiaka, Michael Chiu, Huanwang Yang, Chenghua Shao, Victoria A. Feher, W. Patrick Walters, Bernd Kuhn, M.G. Rudolph, S.K. Burley, Michael K. Gilson, Rommie E. Amaro - Journal of Computer-Aided Molecular Design, J. Comput. Aided Mol. Des. 2017 被引用: 202
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
著者: Joel Ricci-Lopez, Sergio A. Aguila, Michael K. Gilson, Carlos A. Brizuela - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2021 被引用: 72
- Escaping Atom Types in Force Fields Using Direct Chemical Perception
著者: David L. Mobley, Caitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, John D. Chodera, Victoria T. Lim, Nathan M. Lim, Kyle A. Beauchamp, David R. Slochower, Michael R. Shirts, Michael K. Gilson, Peter Eastman - Journal of Chemical Theory and Computation 2018 被引用: 228
- Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis
著者: Michael K. Gilson, Barry Honig - Proteins Structure Function and Bioinformatics 1988 被引用: 853
- Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril
著者: Crystal N. Nguyen, Tom Young, Michael K. Gilson - The Journal of Chemical Physics 2012 被引用: 335
- D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions
著者: Symon Gathiaka, Shuai Liu, Michael Chiu, Huanwang Yang, Jeanne A. Stuckey, You Na Kang, Jim Delproposto, Ginger Kubish, James B. Dunbar, Heather A. Carlson, S.K. Burley, W. Patrick Walters, Rommie E. Amaro, Victoria A. Feher, Michael K. Gilson - Journal of Computer-Aided Molecular Design, J. Comput. Aided Mol. Des. 2016 被引用: 227
- BindingDB: A Web-Accessible Molecular Recognition Database
著者: Xi Chen, Ming Liu, Michael K. Gilson - Combinatorial Chemistry & High Throughput Screening 2001 被引用: 225
- Dynamic architecture of a protein kinase
著者: Christopher L. McClendon, Alexandr P. Kornev, Michael K. Gilson, Susan S. Taylor - National Academy of Sciences, Proceedings of the National Academy of Sciences 2014 被引用: 265
- Substrate-driven chemotactic assembly in an enzyme cascade
著者: Xi Zhao, Henri Palacci, Vinita Yadav, Michelle M. Spiering, Michael K. Gilson, Peter J. Butler, Henry Hess, Stephen J. Benkovic, Ayusman Sen - Nature Chemistry 2017 被引用: 173
- Ligand configurational entropy and protein binding
著者: Chia‐en A. Chang, Wei Chen, Michael K. Gilson - National Academy of Sciences, Proceedings of the National Academy of Sciences 2007 被引用: 433
- Absolute binding free energy calculations improve enrichment of actives in virtual compound screening
著者: Mudong Feng, Germano Heinzelmann, Michael K. Gilson - Scientific Reports 2022 被引用: 49
