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The scientific legacy of Martin Karplus from the perspective of his collaborators.

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Title: The scientific legacy of Martin Karplus from the perspective of his collaborators.
Authors: Andricioaei I; Department of Chemistry, University of California Irvine, Irvine, California., Best RB; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland., Birge RR; Department of Chemistry, University of Connecticut, Storrs, Connecticut., Boresch S; University of Vienna, Faculty of Chemistry, Institute of Computational Biological Chemistry, Vienna, Austria., Brunger AT; Department of Molecular and Cellular Physiology, Stanford University, Stanford, California., Brooks BR; Laboratory of Computational Biology, National Heart Lung Blood Institute, National Institutes of Health, Bethesda, Maryland., Buck M; Department of Physiology and Biophysics, Case Western Reserve University, Cleveland, Ohio., Brüschweiler R; Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio., Caflisch A; Department of Biochemistry, University of Zurich, Zurich, Switzerland., Case DA; Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey., Cui Q; Department of Chemistry, Boston University, Boston, Massachusetts., Dejaegere A; Université de Strasbourg, CNRS, Inserm, IGBMC UMR 7104 UMR-S 1258, Illkirch, France., Dinner AR; Department of Chemistry and James Franck Institute, University of Chicago, Chicago, Illinois., Elber R; The Oden Institute, University of Texas at Austin, Austin, Texas., Evanseck JD; Department of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, Pennsylvania., Gao J; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen, PRC; Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota., Guo H; Department of Biochemistry, Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee., Hubbard RE; York Structural Biology Laboratory, University of York, York, UK., Kuriyan J; Department of Biochemistry, Vanderbilt University School of Medicine, Nashville, Tennessee., Joseph-McCarthy D; Department of Biomedical Engineering, Boston University, Boston, Massachusetts., Levy RM; Department of Chemistry, Temple University, Philadelphia, Pennsylvania., Nilsson L; Department of Medicine Huddinge, Karolinska Institutet, Stockholm, Sweden., Mattos C; Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts., MacKerell AD Jr; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland., McCammon JA; Department of Biochemistry and Molecular Biophysics, Department of Pharmacology, University of California San Diego, La Jolla, California., Michnick SW; Département de Biochimie, Université de Montréal, Montréal, Québec, Canada., Mulholland A; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, UK., Meuwly M; Department of Chemistry, University of Basel, Basel, Switzerland., Pastor RW; Laboratory of Computational Biology, National Heart Lung Blood Institute, National Institutes of Health, Bethesda, Maryland., Reuter N; Department of Chemistry and Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway., Roux B; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois. Electronic address: roux@uchicago.edu., Sali A; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California., Schlick T; Department of Chemistry and Courant Institute and Simons Center for Computational Physical Chemistry, New York University, New York, New York., Smith JC; Department of Biochemistry, Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee; Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, Tennessee. Electronic address: smithjc@ornl.gov., Stote RH; Université de Strasbourg, CNRS, Inserm, IGBMC UMR 7104 UMR-S 1258, Illkirch, France., Straub JE; Department of Chemistry, Boston University, Boston, Massachusetts., Taly A; Université Paris Cité, CNRS, Laboratoire de Biochimie Théorique, Paris, France., van der Vaart A; Department of Chemistry, University of South Florida, Tampa, Florida., Wan S; Centre for Computational Science, Department of Chemistry, University College London, London, UK., Weiss MA; Department of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, Pennsylvania., Yang W; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida., York DM; Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey., Zhou Y; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen, China.
Source: Biophysical journal [Biophys J] 2026 Apr 01. Date of Electronic Publication: 2026 Apr 01.
Publication Type: Journal Article; Review
Journal Info: Publisher: Cell Press Country of Publication: United States NLM ID: 0370626 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1542-0086 (Electronic) Linking ISSN: 00063495 NLM ISO Abbreviation: Biophys J Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: The scientific legacy of Martin Karplus from the perspective of his collaborators.
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  Data: <searchLink fieldCode="AU" term="%22Andricioaei+I%22">Andricioaei I</searchLink>; Department of Chemistry, University of California Irvine, Irvine, California.<br /><searchLink fieldCode="AU" term="%22Best+RB%22">Best RB</searchLink>; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland.<br /><searchLink fieldCode="AU" term="%22Birge+RR%22">Birge RR</searchLink>; Department of Chemistry, University of Connecticut, Storrs, Connecticut.<br /><searchLink fieldCode="AU" term="%22Boresch+S%22">Boresch S</searchLink>; University of Vienna, Faculty of Chemistry, Institute of Computational Biological Chemistry, Vienna, Austria.<br /><searchLink fieldCode="AU" term="%22Brunger+AT%22">Brunger AT</searchLink>; Department of Molecular and Cellular Physiology, Stanford University, Stanford, California.<br /><searchLink fieldCode="AU" term="%22Brooks+BR%22">Brooks BR</searchLink>; Laboratory of Computational Biology, National Heart Lung Blood Institute, National Institutes of Health, Bethesda, Maryland.<br /><searchLink fieldCode="AU" term="%22Buck+M%22">Buck M</searchLink>; Department of Physiology and Biophysics, Case Western Reserve University, Cleveland, Ohio.<br /><searchLink fieldCode="AU" term="%22Brüschweiler+R%22">Brüschweiler R</searchLink>; Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio.<br /><searchLink fieldCode="AU" term="%22Caflisch+A%22">Caflisch A</searchLink>; Department of Biochemistry, University of Zurich, Zurich, Switzerland.<br /><searchLink fieldCode="AU" term="%22Case+DA%22">Case DA</searchLink>; Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey.<br /><searchLink fieldCode="AU" term="%22Cui+Q%22">Cui Q</searchLink>; Department of Chemistry, Boston University, Boston, Massachusetts.<br /><searchLink fieldCode="AU" term="%22Dejaegere+A%22">Dejaegere A</searchLink>; Université de Strasbourg, CNRS, Inserm, IGBMC UMR 7104 UMR-S 1258, Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Dinner+AR%22">Dinner AR</searchLink>; Department of Chemistry and James Franck Institute, University of Chicago, Chicago, Illinois.<br /><searchLink fieldCode="AU" term="%22Elber+R%22">Elber R</searchLink>; The Oden Institute, University of Texas at Austin, Austin, Texas.<br /><searchLink fieldCode="AU" term="%22Evanseck+JD%22">Evanseck JD</searchLink>; Department of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, Pennsylvania.<br /><searchLink fieldCode="AU" term="%22Gao+J%22">Gao J</searchLink>; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen, PRC; Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota.<br /><searchLink fieldCode="AU" term="%22Guo+H%22">Guo H</searchLink>; Department of Biochemistry, Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee.<br /><searchLink fieldCode="AU" term="%22Hubbard+RE%22">Hubbard RE</searchLink>; York Structural Biology Laboratory, University of York, York, UK.<br /><searchLink fieldCode="AU" term="%22Kuriyan+J%22">Kuriyan J</searchLink>; Department of Biochemistry, Vanderbilt University School of Medicine, Nashville, Tennessee.<br /><searchLink fieldCode="AU" term="%22Joseph-McCarthy+D%22">Joseph-McCarthy D</searchLink>; Department of Biomedical Engineering, Boston University, Boston, Massachusetts.<br /><searchLink fieldCode="AU" term="%22Levy+RM%22">Levy RM</searchLink>; Department of Chemistry, Temple University, Philadelphia, Pennsylvania.<br /><searchLink fieldCode="AU" term="%22Nilsson+L%22">Nilsson L</searchLink>; Department of Medicine Huddinge, Karolinska Institutet, Stockholm, Sweden.<br /><searchLink fieldCode="AU" term="%22Mattos+C%22">Mattos C</searchLink>; Department of Chemistry and Chemical Biology, Northeastern University, Boston, Massachusetts.<br /><searchLink fieldCode="AU" term="%22MacKerell+AD+Jr%22">MacKerell AD Jr</searchLink>; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland.<br /><searchLink fieldCode="AU" term="%22McCammon+JA%22">McCammon JA</searchLink>; Department of Biochemistry and Molecular Biophysics, Department of Pharmacology, University of California San Diego, La Jolla, California.<br /><searchLink fieldCode="AU" term="%22Michnick+SW%22">Michnick SW</searchLink>; Département de Biochimie, Université de Montréal, Montréal, Québec, Canada.<br /><searchLink fieldCode="AU" term="%22Mulholland+A%22">Mulholland A</searchLink>; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, UK.<br /><searchLink fieldCode="AU" term="%22Meuwly+M%22">Meuwly M</searchLink>; Department of Chemistry, University of Basel, Basel, Switzerland.<br /><searchLink fieldCode="AU" term="%22Pastor+RW%22">Pastor RW</searchLink>; Laboratory of Computational Biology, National Heart Lung Blood Institute, National Institutes of Health, Bethesda, Maryland.<br /><searchLink fieldCode="AU" term="%22Reuter+N%22">Reuter N</searchLink>; Department of Chemistry and Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway.<br /><searchLink fieldCode="AU" term="%22Roux+B%22">Roux B</searchLink>; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois. Electronic address: roux@uchicago.edu.<br /><searchLink fieldCode="AU" term="%22Sali+A%22">Sali A</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California.<br /><searchLink fieldCode="AU" term="%22Schlick+T%22">Schlick T</searchLink>; Department of Chemistry and Courant Institute and Simons Center for Computational Physical Chemistry, New York University, New York, New York.<br /><searchLink fieldCode="AU" term="%22Smith+JC%22">Smith JC</searchLink>; Department of Biochemistry, Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee; Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, Tennessee. Electronic address: smithjc@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Stote+RH%22">Stote RH</searchLink>; Université de Strasbourg, CNRS, Inserm, IGBMC UMR 7104 UMR-S 1258, Illkirch, France.<br /><searchLink fieldCode="AU" term="%22Straub+JE%22">Straub JE</searchLink>; Department of Chemistry, Boston University, Boston, Massachusetts.<br /><searchLink fieldCode="AU" term="%22Taly+A%22">Taly A</searchLink>; Université Paris Cité, CNRS, Laboratoire de Biochimie Théorique, Paris, France.<br /><searchLink fieldCode="AU" term="%22van+der+Vaart+A%22">van der Vaart A</searchLink>; Department of Chemistry, University of South Florida, Tampa, Florida.<br /><searchLink fieldCode="AU" term="%22Wan+S%22">Wan S</searchLink>; Centre for Computational Science, Department of Chemistry, University College London, London, UK.<br /><searchLink fieldCode="AU" term="%22Weiss+MA%22">Weiss MA</searchLink>; Department of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, Pennsylvania.<br /><searchLink fieldCode="AU" term="%22Yang+W%22">Yang W</searchLink>; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida.<br /><searchLink fieldCode="AU" term="%22York+DM%22">York DM</searchLink>; Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey.<br /><searchLink fieldCode="AU" term="%22Zhou+Y%22">Zhou Y</searchLink>; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen, China.
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