Adrian Mulholland

Alıntı yapanlar

	Hepsi	2020 yılından bugüne
Alıntılar	16473	7950
h-endeksi	74	47
i10-endeksi	247	190

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Genel erişim

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177 makale

17 makale

genel erişime açık olanlar

genel erişime açık olmayanlar

Finansman sağlayan kuruluşun getirdiği zorunluluğa dayalı olarak

Katkıda bulunan yazarlar

Marc van der KampAssociate Professor, University of Bristolbris.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Jeremy HarveyKU Leuvenkuleuven.be üzerinde doğrulanmış e-posta adresine sahip
Ana Sofia Fernandes OliveiraSchool of Biochemistry & Center for Computational Chemistry, University of Bristol, UKbristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Richard LonsdaleGlaxoSmithKlinegsk.com üzerinde doğrulanmış e-posta adresine sahip
Christopher WoodsUniversity of Bristolbristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
david glowackiInvestigador Dinstinguido, CiTIUSusc.es üzerinde doğrulanmış e-posta adresine sahip
Alessio LodolaAssociate Professor of Medicinal Chemistry, University of Parmaunipr.it üzerinde doğrulanmış e-posta adresine sahip
Fred ManbyIambic Therapeuticsiambic.ai üzerinde doğrulanmış e-posta adresine sahip
Nigel ScruttonProfessor of Enzymology, Manchester Institute of Biotechnology (MIB) and School of Chemistrymanchester.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Marco MorUniversity of Parma, Università degli Studi di Parmaunipr.it üzerinde doğrulanmış e-posta adresine sahip
Christiane SchaffitzelProfessor of Biochemistry, Bristol Universitybristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Philip HinchliffeUniversity of Bristolbristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Imre BergerDirector Max Planck Bristol Centre; FMedSci; Professor of Biochemistry and Chemistrybristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Hans Adrian BunzelETH Zurichbsse.ethz.ch üzerinde doğrulanmış e-posta adresine sahip
Vickery ArcusProfessor of Biological Sciences, University of Waikatowaikato.ac.nz üzerinde doğrulanmış e-posta adresine sahip
Supa hannongbuaProfessor of Chemistry, Faculty of Science, Kasetsart Universityku.ac.th üzerinde doğrulanmış e-posta adresine sahip
W.A. Sokalskiprof. chemii Politechnika Wroclawskapwr.edu.pl üzerinde doğrulanmış e-posta adresine sahip
Catherine L. TookeUniversity of Bathbristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
J. L. Ross AndersonProfessor of Biological Chemistrybristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Linus JohannissenUniversity of Manchestermanchester.ac.uk üzerinde doğrulanmış e-posta adresine sahip

Takip et

Adrian Mulholland

Professor of Chemistry, University of Bristol

bristol.ac.uk üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Enzyme catalysis protein dynamics computational chemistry


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology MW Van Der Kamp, AJ Mulholland Biochemistry 52 (16), 2708-2728, 2013	666	2013
Atomic description of an enzyme reaction dominated by proton tunneling L Masgrau, A Roujeinikova, LO Johannissen, P Hothi, J Basran, ... Science 312 (5771), 237-241, 2006	412	2006
Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein C Toelzer, K Gupta, SKN Yadav, U Borucu, AD Davidson, ... Science 370 (6517), 725-730, 2020	408	2020
High-accuracy computation of reaction barriers in enzymes F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ... ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 45 (41), 6856, 2006	348	2006
On the temperature dependence of enzyme-catalyzed rates VL Arcus, EJ Prentice, JK Hobbs, AJ Mulholland, MW Van der Kamp, ... Biochemistry 55 (12), 1681-1688, 2016	316	2016
Taking Ockham's razor to enzyme dynamics and catalysis DR Glowacki, JN Harvey, AJ Mulholland Nature chemistry 4 (3), 169-176, 2012	285	2012
Modelling enzyme reaction mechanisms, specificity and catalysis AJ Mulholland Drug discovery today 10 (20), 1393-1402, 2005	236	2005
A practical guide to modelling enzyme-catalysed reactions R Lonsdale, JN Harvey, AJ Mulholland Chemical Society Reviews 41 (8), 3025-3038, 2012	214	2012
Insights into chorismate mutase catalysis from a combined QM/MM simulation of the enzyme reaction PD Lyne, AJ Mulholland, WG Richards Journal of the American Chemical Society 117 (45), 11345-11350, 1995	206	1995
Does compound I vary significantly between isoforms of cytochrome P450? R Lonsdale, J Oláh, AJ Mulholland, JN Harvey Journal of the American Chemical Society 133 (39), 15464-15474, 2011	202	2011
Electronic structure of compound I in human isoforms of cytochrome P450 from QM/MM modeling CM Bathelt, J Zurek, AJ Mulholland, JN Harvey Journal of the American Chemical Society 127 (37), 12900-12908, 2005	190	2005
The catalytic mechanism of a natural Diels–Alderase revealed in molecular detail MJ Byrne, NR Lees, LC Han, MW Van Der Kamp, AJ Mulholland, ... Journal of the American Chemical Society 138 (19), 6095-6098, 2016	178	2016
Inclusion of dispersion effects significantly improves accuracy of calculated reaction barriers for cytochrome P450 catalyzed reactions R Lonsdale, JN Harvey, AJ Mulholland The Journal of Physical Chemistry Letters 1 (21), 3232-3237, 2010	178	2010
Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A β-lactamase with benzylpenicillin JC Hermann, C Hensen, L Ridder, AJ Mulholland, HD Höltje Journal of the American Chemical Society 127 (12), 4454-4465, 2005	177	2005
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019	173	2019
Iron-containing enzymes: Versatile catalysts of hydroxylation reactions in nature S Shaik, AW Munro, S Sen, C Mowat, W Nam, E Derat, T Bugg, ... Royal Society of Chemistry, 2011	167	2011
Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects CM Bathelt, L Ridder, AJ Mulholland, JN Harvey Journal of the American Chemical Society 125 (49), 15004-15005, 2003	160	2003
Sampling molecular conformations and dynamics in a multiuser virtual reality framework M O’Connor, HM Deeks, E Dawn, O Metatla, A Roudaut, M Sutton, ... Science advances 4 (6), eaat2731, 2018	157	2018
Insights into the mechanistic basis of plasmid-mediated colistin resistance from crystal structures of the catalytic domain of MCR-1 P Hinchliffe, QE Yang, E Portal, T Young, H Li, CL Tooke, MJ Carvalho, ... Scientific reports 7 (1), 39392, 2017	156	2017
Multiscale methods in drug design bridge chemical and biological complexity in the search for cures RE Amaro, AJ Mulholland Nature Reviews Chemistry 2 (4), 0148, 2018	154	2018

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