{"id":"https://openalex.org/W2039984482","doi":"https://doi.org/10.1007/bf00124456","title":"MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry","display_name":"MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry","publication_year":1995,"publication_date":"1995-06-01","ids":{"openalex":"https://openalex.org/W2039984482","doi":"https://doi.org/10.1007/bf00124456","mag":"2039984482"},"language":"en","primary_location":{"id":"doi:10.1007/bf00124456","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124456","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084619376","display_name":"Paul R. Gerber","orcid":null},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"Roche (Switzerland)","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Paul R. Gerber","raw_affiliation_strings":["Pharmaceutical Research and Development, F. Hoffmann-La Roche AG, CH-4002, Basel, Switzerland","F. Hoffmann\u2013La Roche AG, Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Pharmaceutical Research and Development, F. Hoffmann-La Roche AG, CH-4002, Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]},{"raw_affiliation_string":"F. Hoffmann\u2013La Roche AG, Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5096890527","display_name":"Klaus M\ufffdller","orcid":null},"institutions":[{"id":"https://openalex.org/I118019719","display_name":"Roche (Switzerland)","ror":"https://ror.org/00by1q217","country_code":"CH","type":"company","lineage":["https://openalex.org/I118019719"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Klaus M\ufffdller","raw_affiliation_strings":["Pharmaceutical Research and Development, F. Hoffmann-La Roche AG, Basel, Switzerland"],"affiliations":[{"raw_affiliation_string":"Pharmaceutical Research and Development, F. Hoffmann-La Roche AG, Basel, Switzerland","institution_ids":["https://openalex.org/I118019719"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5084619376"],"corresponding_institution_ids":["https://openalex.org/I118019719"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":5.0026,"has_fulltext":false,"cited_by_count":594,"citation_normalized_percentile":{"value":0.96210395,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"9","issue":"3","first_page":"251","last_page":"268"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9940000176429749,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/parametrization","display_name":"Parametrization (atmospheric modeling)","score":0.6661017537117004},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5885471105575562},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.4989137649536133},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.4654458463191986},{"id":"https://openalex.org/keywords/valence","display_name":"Valence (chemistry)","score":0.4490445852279663},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.44221845269203186},{"id":"https://openalex.org/keywords/flexibility","display_name":"Flexibility (engineering)","score":0.43241000175476074},{"id":"https://openalex.org/keywords/hydrogen-atom","display_name":"Hydrogen atom","score":0.417819082736969},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.41701504588127136},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.3994331955909729},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.371334969997406},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.35858577489852905},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.34209832549095154},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.31347212195396423},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.30979907512664795},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.22201314568519592}],"concepts":[{"id":"https://openalex.org/C202887219","wikidata":"https://www.wikidata.org/wiki/Q3895221","display_name":"Parametrization (atmospheric modeling)","level":3,"score":0.6661017537117004},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5885471105575562},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.4989137649536133},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.4654458463191986},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.4490445852279663},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44221845269203186},{"id":"https://openalex.org/C2780598303","wikidata":"https://www.wikidata.org/wiki/Q65921492","display_name":"Flexibility (engineering)","level":2,"score":0.43241000175476074},{"id":"https://openalex.org/C2776640939","wikidata":"https://www.wikidata.org/wiki/Q6643508","display_name":"Hydrogen atom","level":3,"score":0.417819082736969},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.41701504588127136},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3994331955909729},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.371334969997406},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.35858577489852905},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.34209832549095154},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.31347212195396423},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.30979907512664795},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.22201314568519592},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.0},{"id":"https://openalex.org/C74902906","wikidata":"https://www.wikidata.org/wiki/Q1190858","display_name":"Radiative transfer","level":2,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/bf00124456","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124456","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320337350","display_name":"National Eye Institute","ror":"https://ror.org/03wkg3b53"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W300584576","https://openalex.org/W1526944695","https://openalex.org/W1579562694","https://openalex.org/W1972982314","https://openalex.org/W1979046104","https://openalex.org/W2007618885","https://openalex.org/W2043382734","https://openalex.org/W2079589162","https://openalex.org/W2079642897","https://openalex.org/W2088451388","https://openalex.org/W2094966898","https://openalex.org/W2095296924","https://openalex.org/W2108921478","https://openalex.org/W2161239029","https://openalex.org/W2162166182","https://openalex.org/W2333718760","https://openalex.org/W2890747390"],"related_works":["https://openalex.org/W2153421756","https://openalex.org/W4239315977","https://openalex.org/W2077818434","https://openalex.org/W2054489697","https://openalex.org/W2361081803","https://openalex.org/W2036241269","https://openalex.org/W2109057766","https://openalex.org/W4250375811","https://openalex.org/W1998511134","https://openalex.org/W3153571786"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":13},{"year":2024,"cited_by_count":25},{"year":2023,"cited_by_count":35},{"year":2022,"cited_by_count":23},{"year":2021,"cited_by_count":26},{"year":2020,"cited_by_count":24},{"year":2019,"cited_by_count":28},{"year":2018,"cited_by_count":25},{"year":2017,"cited_by_count":26},{"year":2016,"cited_by_count":29},{"year":2015,"cited_by_count":28},{"year":2014,"cited_by_count":15},{"year":2013,"cited_by_count":16},{"year":2012,"cited_by_count":13}],"updated_date":"2026-03-31T07:56:22.981413","created_date":"2016-06-24T00:00:00"}
