litlas
Log inCreate account

Michael K. Gilson

Active 1985–2026

156
Papers
27,318
Citations
82
h-index
139
i10-index

Citations

Citations per year for Michael K. Gilson1962: 1 citations1966: 1 citations1969: 1 citations1970: 2 citations1971: 1 citations1972: 5 citations1983: 1 citations1985: 1 citations1986: 7 citations1987: 2 citations1988: 19 citations1989: 26 citations1990: 30 citations1991: 41 citations1992: 35 citations1993: 44 citations1994: 59 citations1995: 100 citations1996: 107 citations1997: 163 citations1998: 142 citations1999: 191 citations2000: 165 citations2001: 185 citations2002: 178 citations2003: 170 citations2004: 194 citations2005: 173 citations2006: 205 citations2007: 213 citations2008: 242 citations2009: 317 citations2010: 332 citations2011: 393 citations2012: 377 citations2013: 333 citations2014: 329 citations2015: 332 citations2016: 343 citations2017: 398 citations2018: 457 citations2019: 738 citations2020: 779 citations2021: 744 citations2022: 758 citations2023: 660 citations2024: 848 citations2025: 570 citations2026: 136 citations1963–1965: no citations, so these years are not shown1967–1968: no citations, so these years are not shown1973–1982: no citations, so these years are not shown1984: no citations, so this year is not shown

Citation sources

Countries

World map of the countries and regions citing this authorUnited States: 3,257 citing papers, 29.9% of this breakdownChina: 1,121 citing papers, 10.3% of this breakdownGermany: 744 citing papers, 6.8% of this breakdownUnited Kingdom: 687 citing papers, 6.3% of this breakdownIndia: 393 citing papers, 3.6% of this breakdownFrance: 379 citing papers, 3.5% of this breakdownItaly: 333 citing papers, 3.1% of this breakdownSwitzerland: 286 citing papers, 2.6% of this breakdownCanada: 283 citing papers, 2.6% of this breakdownSpain: 260 citing papers, 2.4% of this breakdownJapan: 205 citing papers, 1.9% of this breakdownSouth Korea: 190 citing papers, 1.7% of this breakdown
0%29.9%Other 25.3%

Institutions

Fields

  • Biochemistry, Genetics and Molecular Biology36.5%
  • Computer Science34%
  • Medicine10%
  • Chemistry5%
  • Physics and Astronomy3.8%
  • Materials Science3.5%
  • Other7.2%

Topics

  • 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%
  • Other58.8%

Coauthors

All papers

Open in search
  1. BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

    Authors: Michael K. Gilson, Tiqing Liu, Michael Baitaluk, George Nicola, Linda Hwang, Jenny Chong - Nucleic Acids Research, Nucleic Acids Res. 2015 cited by 1,674

  2. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

    Authors: Tiqing Liu, Yuhmei Lin, Xin Wen, Robert N. Jorissen, Michael K. Gilson - Nucleic Acids Research, Nucleic Acids Res. 2006 cited by 2,147

  3. Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

    Authors: 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 cited by 394

  4. Predicting Binding Free Energies: Frontiers and Benchmarks

    Authors: David L. Mobley, Michael K. Gilson - Annual Review of Biophysics 2017 cited by 411

  5. The statistical-thermodynamic basis for computation of binding affinities: a critical review

    Authors: Michael K. Gilson, James A. Given, Bruce L. Bush, J. Andrew McCammon - Biophysical Journal 1997 cited by 1,262

  6. Calculation of Protein-Ligand Binding Affinities

    Authors: Michael K. Gilson, Huan‐Xiang Zhou - Annual Review of Biophysics and Biomolecular Structure 2007 cited by 966

  7. CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

    Authors: 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 cited by 102

  8. Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)

    Authors: Michael Schauperl, Paul S. Nerenberg, Hyesu Jang, Lee‐Ping Wang, Christopher I. Bayly, David L. Mobley, Michael K. Gilson - Communications Chemistry 2020 cited by 304

  9. Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field

    Authors: 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 cited by 170

  10. Alignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set

    Authors: 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 cited by 82

  11. D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies

    Authors: 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 cited by 145

  12. Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation

    Authors: Germano Heinzelmann, Michael K. Gilson - Scientific Reports 2021 cited by 119

  13. D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings

    Authors: 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 cited by 154

  14. D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies

    Authors: 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 cited by 202

  15. Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning

    Authors: Joel Ricci-Lopez, Sergio A. Aguila, Michael K. Gilson, Carlos A. Brizuela - Journal of Chemical Information and Modeling, J. Chem. Inf. Model. 2021 cited by 72

  16. Escaping Atom Types in Force Fields Using Direct Chemical Perception

    Authors: 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 cited by 228

  17. Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis

    Authors: Michael K. Gilson, Barry Honig - Proteins Structure Function and Bioinformatics 1988 cited by 853

  18. Grid inhomogeneous solvation theory: Hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril

    Authors: Crystal N. Nguyen, Tom Young, Michael K. Gilson - The Journal of Chemical Physics 2012 cited by 335

  19. D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions

    Authors: 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 cited by 227

  20. BindingDB: A Web-Accessible Molecular Recognition Database

    Authors: Xi Chen, Ming Liu, Michael K. Gilson - Combinatorial Chemistry & High Throughput Screening 2001 cited by 225

  21. Dynamic architecture of a protein kinase

    Authors: Christopher L. McClendon, Alexandr P. Kornev, Michael K. Gilson, Susan S. Taylor - National Academy of Sciences, Proceedings of the National Academy of Sciences 2014 cited by 265

  22. Substrate-driven chemotactic assembly in an enzyme cascade

    Authors: 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 cited by 173

  23. Ligand configurational entropy and protein binding

    Authors: Chia‐en A. Chang, Wei Chen, Michael K. Gilson - National Academy of Sciences, Proceedings of the National Academy of Sciences 2007 cited by 433

  24. Absolute binding free energy calculations improve enrichment of actives in virtual compound screening

    Authors: Mudong Feng, Germano Heinzelmann, Michael K. Gilson - Scientific Reports 2022 cited by 49